!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!! !!!!! !!!!! 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_MendelevAstaRahman_2009_AlMg__MO_658278549784_005 Supported species : Al Mg random seed = 13 lattice constant (orig) = 3.000 perturbation amplitude = 0.300 number unit cells per side = 2 ----------------------------------------------------------------------------------------------------- MONOATOMIC STRUCTURE (pbc=False)-- Species = Al (Configuration in file "config-F-Al.xyz") ----------------------------------------------------------------------------------------------------- Energy = 66960.71199857377 Forces: 1 -5.18529568e+03 -5.36572181e+03 -3.66556210e+03 2 -1.12756895e+04 -1.76213890e+04 -2.88005372e+04 3 -1.12534786e+04 -2.07145106e+04 -3.19848529e+03 4 -2.16870557e+04 -1.18148094e+04 -5.81655945e+03 5 -2.92946408e+03 -2.02017981e+04 -1.48068945e+04 6 1.71413794e+04 -6.86875481e+03 -2.11211094e+04 7 2.26327987e+04 -3.22111864e+04 -5.93921067e+03 8 3.00718249e+04 -8.12208322e+04 -3.85729164e+04 9 -2.03626733e+04 2.57473675e+03 -2.22367991e+04 10 -7.47041613e+03 2.55656115e+04 -2.42955928e+04 11 -7.51540691e+04 8.99947462e+03 -4.11725125e+04 12 -2.14604349e+04 1.66502157e+04 -3.39578293e+03 13 1.88815772e+04 1.99243145e+04 -5.38305442e+04 14 1.04981588e+04 1.07700406e+04 -1.06462062e+04 15 6.25982178e+04 2.55405309e+04 -2.73456344e+04 16 1.20500271e+04 6.57076064e+04 -2.30346467e+04 17 -5.95038846e+03 -5.77224258e+03 2.59811557e+03 18 -3.05621754e+04 -3.20093058e+04 2.56936329e+04 19 -4.04444673e+03 -7.32684546e+03 6.33392908e+03 20 -5.97454975e+03 -2.72236402e+03 5.66194660e+03 21 4.02556082e+03 -2.61635107e+04 1.35240738e+04 22 3.41910935e+04 -2.04987593e+04 1.50936985e+04 23 3.55829464e+03 -5.51837036e+03 5.35548671e+03 24 1.88444115e+03 -1.39123652e+04 2.55842206e+04 25 -3.46161889e+04 8.92058326e+03 1.87762432e+04 26 -2.44783687e+04 4.05225149e+04 2.12838417e+04 27 -1.60873997e+04 3.24169396e+03 2.42722896e+04 28 -7.51885970e+03 4.25531728e+03 7.74166477e+03 29 3.47729261e+04 3.16031565e+04 8.71010064e+04 30 2.79234381e+04 2.54368703e+04 4.98234515e+03 31 2.86722371e+04 1.29180036e+03 3.51701556e+04 32 -2.89102097e+03 1.89382983e+04 2.87063435e+04 MONOATOMIC STRUCTURE (pbc=True)-- Species = Al (Configuration in file "config-T-Al.xyz") ----------------------------------------------------------------------------------------------------- Energy = 66960.71199857377 Forces: 1 -5.18529568e+03 -5.36572181e+03 -3.66556210e+03 2 -1.12756895e+04 -1.76213890e+04 -2.88005372e+04 3 -1.12534786e+04 -2.07145106e+04 -3.19848529e+03 4 -2.16870557e+04 -1.18148094e+04 -5.81655945e+03 5 -2.92946408e+03 -2.02017981e+04 -1.48068945e+04 6 1.71413794e+04 -6.86875481e+03 -2.11211094e+04 7 2.26327987e+04 -3.22111864e+04 -5.93921067e+03 8 3.00718249e+04 -8.12208322e+04 -3.85729164e+04 9 -2.03626733e+04 2.57473675e+03 -2.22367991e+04 10 -7.47041613e+03 2.55656115e+04 -2.42955928e+04 11 -7.51540691e+04 8.99947462e+03 -4.11725125e+04 12 -2.14604349e+04 1.66502157e+04 -3.39578293e+03 13 1.88815772e+04 1.99243145e+04 -5.38305442e+04 14 1.04981588e+04 1.07700406e+04 -1.06462062e+04 15 6.25982178e+04 2.55405309e+04 -2.73456344e+04 16 1.20500271e+04 6.57076064e+04 -2.30346467e+04 17 -5.95038846e+03 -5.77224258e+03 2.59811557e+03 18 -3.05621754e+04 -3.20093058e+04 2.56936329e+04 19 -4.04444673e+03 -7.32684546e+03 6.33392908e+03 20 -5.97454975e+03 -2.72236402e+03 5.66194660e+03 21 4.02556082e+03 -2.61635107e+04 1.35240738e+04 22 3.41910935e+04 -2.04987593e+04 1.50936985e+04 23 3.55829464e+03 -5.51837036e+03 5.35548671e+03 24 1.88444115e+03 -1.39123652e+04 2.55842206e+04 25 -3.46161889e+04 8.92058326e+03 1.87762432e+04 26 -2.44783687e+04 4.05225149e+04 2.12838417e+04 27 -1.60873997e+04 3.24169396e+03 2.42722896e+04 28 -7.51885970e+03 4.25531728e+03 7.74166477e+03 29 3.47729261e+04 3.16031565e+04 8.71010064e+04 30 2.79234381e+04 2.54368703e+04 4.98234515e+03 31 2.86722371e+04 1.29180036e+03 3.51701556e+04 32 -2.89102097e+03 1.89382983e+04 2.87063435e+04 MONOATOMIC STRUCTURE (pbc=False)-- Species = Mg (Configuration in file "config-F-Mg.xyz") ----------------------------------------------------------------------------------------------------- Energy = 77.6487058332557 Forces: 1 -2.23423685e+00 -2.47861181e+00 -2.87715257e+00 2 -3.63814838e+00 -1.40811135e+00 -8.12191327e+00 3 -2.37294835e+00 -9.92128428e+00 -2.98617722e+00 4 -7.69879532e+00 5.70151564e+00 -6.85840267e+00 5 -8.26546167e-02 -7.52104611e+00 -8.18036011e+00 6 5.71217423e+00 -1.60788679e+00 -6.81600563e+00 7 6.25141512e+00 -4.45433493e+00 2.16997358e-01 8 1.10436598e+00 2.18613320e+00 -1.96920036e+00 9 -9.90282033e+00 -3.49279408e+00 -9.00547132e+00 10 -2.78081941e+00 1.48064413e+01 -1.18546411e+01 11 1.66847568e+00 -6.37929409e+00 9.87988151e+00 12 -9.33257274e+00 1.39936963e+01 1.64570204e+00 13 4.40222173e+00 -7.41741344e+00 -8.07968033e+00 14 4.27443561e+00 9.58583702e+00 -1.04539499e+01 15 1.19545456e+01 -6.72233422e+00 5.67761562e+00 16 -1.46722408e+00 1.05331302e+01 3.01432469e+00 17 -5.37501954e+00 -1.05365822e+01 8.59640714e+00 18 -3.20676837e+00 1.87117523e+00 1.37729514e+00 19 -4.06507704e+00 -6.25206884e+00 9.44040554e+00 20 -7.85607189e+00 -7.71446892e+00 5.19803411e+00 21 -1.16060680e-01 -1.21319410e+01 2.75095098e+00 22 1.74464295e+01 2.98986432e+00 1.39162709e+00 23 2.89130664e+00 -2.17857152e+00 2.05130754e+00 24 -2.25397391e+00 -3.55541365e+00 6.94899430e+00 25 -6.86778984e+00 2.50169151e+00 -3.21753979e+00 26 -1.34262212e+00 6.03922314e+00 2.06552205e+00 27 6.36598845e+00 3.31200368e+00 7.66392712e+00 28 -3.06072776e+00 6.03277595e+00 3.20847399e+00 29 3.09882769e-01 4.18634258e+00 1.14630078e+00 30 8.59712721e+00 4.30543472e+00 -5.00250367e+00 31 7.50858196e+00 -1.87086332e-01 6.12128087e+00 32 -4.83261920e+00 5.91397873e+00 7.02795003e+00 MONOATOMIC STRUCTURE (pbc=True)-- Species = Mg (Configuration in file "config-T-Mg.xyz") ----------------------------------------------------------------------------------------------------- Energy = 77.6487058332557 Forces: 1 -2.23423685e+00 -2.47861181e+00 -2.87715257e+00 2 -3.63814838e+00 -1.40811135e+00 -8.12191327e+00 3 -2.37294835e+00 -9.92128428e+00 -2.98617722e+00 4 -7.69879532e+00 5.70151564e+00 -6.85840267e+00 5 -8.26546167e-02 -7.52104611e+00 -8.18036011e+00 6 5.71217423e+00 -1.60788679e+00 -6.81600563e+00 7 6.25141512e+00 -4.45433493e+00 2.16997358e-01 8 1.10436598e+00 2.18613320e+00 -1.96920036e+00 9 -9.90282033e+00 -3.49279408e+00 -9.00547132e+00 10 -2.78081941e+00 1.48064413e+01 -1.18546411e+01 11 1.66847568e+00 -6.37929409e+00 9.87988151e+00 12 -9.33257274e+00 1.39936963e+01 1.64570204e+00 13 4.40222173e+00 -7.41741344e+00 -8.07968033e+00 14 4.27443561e+00 9.58583702e+00 -1.04539499e+01 15 1.19545456e+01 -6.72233422e+00 5.67761562e+00 16 -1.46722408e+00 1.05331302e+01 3.01432469e+00 17 -5.37501954e+00 -1.05365822e+01 8.59640714e+00 18 -3.20676837e+00 1.87117523e+00 1.37729514e+00 19 -4.06507704e+00 -6.25206884e+00 9.44040554e+00 20 -7.85607189e+00 -7.71446892e+00 5.19803411e+00 21 -1.16060680e-01 -1.21319410e+01 2.75095098e+00 22 1.74464295e+01 2.98986432e+00 1.39162709e+00 23 2.89130664e+00 -2.17857152e+00 2.05130754e+00 24 -2.25397391e+00 -3.55541365e+00 6.94899430e+00 25 -6.86778984e+00 2.50169151e+00 -3.21753979e+00 26 -1.34262212e+00 6.03922314e+00 2.06552205e+00 27 6.36598845e+00 3.31200368e+00 7.66392712e+00 28 -3.06072776e+00 6.03277595e+00 3.20847399e+00 29 3.09882769e-01 4.18634258e+00 1.14630078e+00 30 8.59712721e+00 4.30543472e+00 -5.00250367e+00 31 7.50858196e+00 -1.87086332e-01 6.12128087e+00 32 -4.83261920e+00 5.91397873e+00 7.02795003e+00 MIXED STRUCTURE (pbc=False)-- Species = Al Mg (Configuration in file "config-F-AlMg.xyz") ----------------------------------------------------------------------------------------------------- Energy = 10210.75994870465 Forces: 1 -6.07929914e+02 -2.85176610e+02 -4.35169239e+02 2 -4.45116950e+03 2.04707687e+02 -6.01888418e+03 3 -2.70653779e+03 -3.04482599e+03 -6.99196831e+02 4 -1.87717042e+03 -3.15932409e+02 -7.22936085e+02 5 5.47708051e+02 -3.95261721e+03 -4.62193400e+03 6 4.53447783e+03 -3.85675949e+02 -6.14184055e+03 7 2.92459494e+03 -2.81393833e+03 -6.96682845e+02 8 -3.41359519e+02 -2.16126677e+04 -1.33306594e+04 9 -1.83209885e+03 6.03433394e+02 -1.37780597e+03 10 -6.08445994e+02 9.70760661e+02 -9.85405351e+02 11 -3.82217887e+03 2.62074393e+03 -2.86961436e+03 12 -5.08911732e+02 3.71794898e+02 -2.19408791e+02 13 -7.50591997e+02 2.04815660e+03 -4.52119452e+03 14 9.38915053e+02 1.97146956e+03 -1.76184319e+03 15 1.04556687e+04 6.48897324e+03 -8.93076270e+03 16 -8.52412280e+02 6.45623241e+03 -4.30839175e+03 17 -1.06355291e+03 -8.25881906e+02 3.76133602e+02 18 -1.21342410e+04 -5.87207868e+03 4.94712805e+03 19 -9.78990664e+02 -1.91806570e+03 1.69269922e+03 20 -1.35286421e+03 -1.94541142e+02 8.35987853e+02 21 2.03469694e+01 -5.05989356e+03 2.54470875e+03 22 1.22653679e+04 -6.33514592e+03 6.07473795e+03 23 7.56553644e+02 -9.03053026e+02 1.02242364e+03 24 2.52925072e+02 -5.88068731e+03 1.13010862e+04 25 -4.36647764e+03 1.04551571e+03 7.67468264e+02 26 -2.73457136e+03 3.59568381e+03 2.67593859e+02 27 -2.84382228e+03 7.86033026e+02 2.81552840e+03 28 -1.04252546e+03 8.33528550e+02 6.46547228e+02 29 3.61992795e+03 1.86171730e+04 1.35484240e+04 30 6.42103124e+03 7.52840756e+03 2.07179088e+03 31 1.98758994e+03 4.83986595e+02 4.27896108e+03 32 1.50745102e+02 4.77358087e+03 4.45051080e+03 MIXED STRUCTURE (pbc=True)-- Species = Al Mg (Configuration in file "config-T-AlMg.xyz") ----------------------------------------------------------------------------------------------------- Energy = 172532.0589132407 Forces: 1 4.44189235e+03 -1.16772698e+04 -6.05235692e+03 2 -5.50466649e+04 -6.38209710e+03 -3.66827663e+04 3 -2.75878604e+04 -2.47205215e+04 -5.71663711e+03 4 1.07012336e+04 -1.22534608e+04 -8.26526902e+03 5 -7.16019983e+03 -4.20196232e+04 -3.88950095e+04 6 6.79177387e+04 -3.93998115e+04 -8.20089810e+04 7 3.06954442e+04 -3.25324598e+04 -6.69318803e+03 8 -8.11691197e+04 -1.39058339e+05 -7.14632855e+04 9 1.76017807e+04 2.30716347e+04 -2.16052386e+04 10 -1.70620137e+04 6.63996768e+03 -1.14276945e+04 11 -3.44824942e+04 2.28174617e+04 -1.64158731e+04 12 8.67758211e+03 8.96527592e+03 -2.43679464e+03 13 -2.40762121e+04 2.25298791e+04 -3.47665530e+04 14 3.24623317e+04 1.67329509e+04 -2.88513717e+04 15 1.10076371e+05 1.08296536e+05 -5.07974386e+04 16 -3.35688719e+04 4.85236421e+04 -2.10370321e+04 17 4.41957563e+02 -1.55364761e+04 7.03051315e+03 18 -9.86124192e+04 -3.97555219e+04 2.38710077e+04 19 -1.68327023e+04 -2.25142727e+04 1.24093671e+04 20 3.86494342e+03 -4.06419024e+03 1.28809226e+04 21 -7.47569038e+03 -4.33294241e+04 2.02252727e+04 22 1.24189749e+05 -7.36377631e+04 7.04264116e+04 23 1.53857777e+04 -1.78417012e+04 6.09749984e+03 24 -1.09989497e+04 -4.72800181e+04 9.02841131e+04 25 9.19375599e+03 2.91573016e+04 2.11660283e+04 26 -2.42561584e+04 2.14598522e+04 7.31527942e+03 27 -2.27288775e+04 1.54743368e+04 1.92558451e+04 28 2.07988038e+03 8.18011746e+03 6.92466796e+03 29 -3.66130763e+04 1.32481380e+05 7.33266585e+04 30 5.06904574e+04 5.79995818e+04 3.03627089e+04 31 1.69151291e+04 1.97790575e+04 1.77269164e+04 32 -7.66471425e+03 2.98939744e+04 2.38122772e+04 ================================================================================ VALGRIND OUTPUT ================================================================================ ==88438== Memcheck, a memory error detector ==88438== Copyright (C) 2002-2017, and GNU GPL'd, by Julian Seward et al. ==88438== Using Valgrind-3.13.0 and LibVEX; rerun with -h for copyright info ==88438== Command: python runner2.py EAM_Dynamo_MendelevAstaRahman_2009_AlMg__MO_658278549784_005 ==88438== ==88438== Conditional jump or move depends on uninitialised value(s) ==88438== at 0x4FCBE77: __wcsnlen_avx2 (strlen-avx2.S:261) ==88438== by 0x4EF9EC1: wcsrtombs (wcsrtombs.c:104) ==88438== by 0x4E7FB20: wcstombs (wcstombs.c:34) ==88438== by 0x547A3F: ??? (in /usr/bin/python3.6) ==88438== by 0x63345D: _Py_stat (in /usr/bin/python3.6) ==88438== by 0x5BA640: ??? (in /usr/bin/python3.6) ==88438== by 0x551B80: ??? (in /usr/bin/python3.6) ==88438== by 0x5AA6EB: _PyObject_FastCallKeywords (in /usr/bin/python3.6) ==88438== by 0x50ABB2: ??? (in /usr/bin/python3.6) ==88438== by 0x50C5B8: _PyEval_EvalFrameDefault (in /usr/bin/python3.6) ==88438== by 0x509D47: ??? (in /usr/bin/python3.6) ==88438== by 0x50AA7C: ??? (in /usr/bin/python3.6) ==88438== ==88438== Conditional jump or move depends on uninitialised value(s) ==88438== at 0x4E63408: internal_utf8_loop (loop.c:298) ==88438== by 0x4E63408: __gconv_transform_internal_utf8 (skeleton.c:609) ==88438== by 0x4EF9EF4: wcsrtombs (wcsrtombs.c:110) ==88438== by 0x4E7FB20: wcstombs (wcstombs.c:34) ==88438== by 0x547A3F: ??? (in /usr/bin/python3.6) ==88438== by 0x63345D: _Py_stat (in /usr/bin/python3.6) ==88438== by 0x5BA640: ??? (in /usr/bin/python3.6) ==88438== by 0x551B80: ??? (in /usr/bin/python3.6) ==88438== by 0x5AA6EB: _PyObject_FastCallKeywords (in /usr/bin/python3.6) ==88438== by 0x50ABB2: ??? (in /usr/bin/python3.6) ==88438== by 0x50C5B8: _PyEval_EvalFrameDefault (in /usr/bin/python3.6) ==88438== by 0x509D47: ??? (in /usr/bin/python3.6) ==88438== by 0x50AA7C: ??? (in /usr/bin/python3.6) ==88438== ==88438== Conditional jump or move depends on uninitialised value(s) ==88438== at 0x4E63411: internal_utf8_loop (loop.c:303) ==88438== by 0x4E63411: __gconv_transform_internal_utf8 (skeleton.c:609) ==88438== by 0x4EF9EF4: wcsrtombs (wcsrtombs.c:110) ==88438== by 0x4E7FB20: wcstombs (wcstombs.c:34) ==88438== by 0x547A3F: ??? (in /usr/bin/python3.6) ==88438== by 0x63345D: _Py_stat (in /usr/bin/python3.6) ==88438== by 0x5BA640: ??? (in /usr/bin/python3.6) ==88438== by 0x551B80: ??? (in /usr/bin/python3.6) ==88438== by 0x5AA6EB: _PyObject_FastCallKeywords (in /usr/bin/python3.6) ==88438== by 0x50ABB2: ??? (in /usr/bin/python3.6) ==88438== by 0x50C5B8: _PyEval_EvalFrameDefault (in /usr/bin/python3.6) ==88438== by 0x509D47: ??? (in /usr/bin/python3.6) ==88438== by 0x50AA7C: ??? (in /usr/bin/python3.6) ==88438== ==88438== Conditional jump or move depends on uninitialised value(s) ==88438== at 0x4E63458: internal_utf8_loop (loop.c:298) ==88438== by 0x4E63458: __gconv_transform_internal_utf8 (skeleton.c:609) ==88438== by 0x4EF9EF4: wcsrtombs (wcsrtombs.c:110) ==88438== by 0x4E7FB20: wcstombs (wcstombs.c:34) ==88438== by 0x547A3F: ??? (in /usr/bin/python3.6) ==88438== by 0x63345D: _Py_stat (in /usr/bin/python3.6) ==88438== by 0x5BA640: ??? (in /usr/bin/python3.6) ==88438== by 0x551B80: ??? (in /usr/bin/python3.6) ==88438== by 0x5AA6EB: _PyObject_FastCallKeywords (in /usr/bin/python3.6) ==88438== by 0x50ABB2: ??? (in /usr/bin/python3.6) ==88438== by 0x50C5B8: _PyEval_EvalFrameDefault (in /usr/bin/python3.6) ==88438== by 0x509D47: ??? (in /usr/bin/python3.6) ==88438== by 0x50AA7C: ??? (in /usr/bin/python3.6) ==88438== ==88438== Conditional jump or move depends on uninitialised value(s) ==88438== at 0x4FCBCEC: __wcsnlen_avx2 (strlen-avx2.S:103) ==88438== by 0x4EF9EC1: wcsrtombs (wcsrtombs.c:104) ==88438== by 0x4E7FB20: wcstombs (wcstombs.c:34) ==88438== by 0x547A3F: ??? (in /usr/bin/python3.6) ==88438== by 0x547D20: PyUnicode_FSConverter (in /usr/bin/python3.6) ==88438== by 0x4C51E6: ??? (in /usr/bin/python3.6) ==88438== by 0x4F8388: ??? (in /usr/bin/python3.6) ==88438== by 0x4FBD83: ??? (in /usr/bin/python3.6) ==88438== by 0x4FC914: _PyArg_ParseStack_SizeT (in /usr/bin/python3.6) ==88438== by 0x4C6C88: ??? (in /usr/bin/python3.6) ==88438== by 0x50A9D9: ??? (in /usr/bin/python3.6) ==88438== by 0x50C5B8: _PyEval_EvalFrameDefault (in /usr/bin/python3.6) ==88438== ==88438== ==88438== HEAP SUMMARY: ==88438== in use at exit: 2,764,995 bytes in 1,647 blocks ==88438== total heap usage: 57,765 allocs, 56,118 frees, 164,007,397 bytes allocated ==88438== ==88438== LEAK SUMMARY: ==88438== definitely lost: 0 bytes in 0 blocks ==88438== indirectly lost: 0 bytes in 0 blocks ==88438== possibly lost: 146,155 bytes in 87 blocks ==88438== still reachable: 2,618,840 bytes in 1,560 blocks ==88438== suppressed: 0 bytes in 0 blocks ==88438== Rerun with --leak-check=full to see details of leaked memory ==88438== ==88438== For counts of detected and suppressed errors, rerun with: -v ==88438== Use --track-origins=yes to see where uninitialised values come from ==88438== ERROR SUMMARY: 6672 errors from 5 contexts (suppressed: 12401 from 654) ================================================================================ 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.