Enter a model name: === Verification check vc-memory-leak start (2020-04-05 20:58:41) === !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!! !!!!! !!!!! 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_MendelevFangYe_2015_AlSm__MO_338600200739_000 Supported species : Al Sm 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 = 85.50390816744608 Forces: 1 -8.70757931e+00 -1.12689296e+01 -1.37867814e+01 2 -6.37520162e+00 1.10813860e+01 -1.46274238e+01 3 -2.97565847e+00 -1.54313868e+01 7.48426882e+00 4 -1.27060338e+01 6.02008606e+00 3.33000634e+00 5 1.30173776e+01 -1.84933855e+01 -1.04517266e+01 6 7.41673833e+00 1.37969579e+00 -1.11959178e+01 7 9.62391583e+00 -2.94763734e+01 -1.97109679e+01 8 -5.81410571e+00 -2.08340509e+01 -1.00928570e+01 9 -7.13009966e+00 -1.05751909e+01 -1.92911348e+01 10 -3.15177927e+00 1.64146120e+01 -1.97121934e+01 11 -3.87231005e+00 -7.05268305e+00 -2.47441914e+01 12 -1.58114922e+01 1.97549348e+01 4.96654541e+00 13 -5.24392723e+00 -8.50741142e+00 -4.11382895e+01 14 9.82635282e+00 1.05855197e+01 -7.43748702e+00 15 4.24063124e+01 2.51068665e+00 3.39895248e+00 16 8.46408570e+00 3.68981912e+01 4.86073909e+00 17 -1.22930718e+01 -8.54422950e+00 -1.50474606e+00 18 -5.52163502e+00 -7.32472615e+00 1.02840709e+01 19 3.99261220e+00 -1.12026022e+01 8.87375894e+00 20 -7.42907998e+00 5.40545650e+00 7.30681880e+00 21 -9.04411621e+00 -1.51709683e+01 8.80599827e+00 22 2.38575020e+01 1.53776763e+01 1.91834907e+01 23 5.11949354e+00 -3.16490107e+00 8.89518615e+00 24 1.14876618e+00 -4.59353870e+00 1.06791581e+01 25 -3.64630567e+01 7.95847100e-01 1.94724217e+01 26 -9.83912816e+00 2.95940266e+01 -9.41182423e-01 27 4.17354492e+00 -2.43059833e+01 1.49335697e+01 28 -2.45823899e+01 1.95978386e+01 6.07546044e+00 29 9.92631334e+00 -4.33803602e+00 2.19376761e+01 30 1.22896163e+01 1.50385020e+01 4.35282258e-01 31 1.76200412e+01 -6.93387011e+00 1.45337205e+01 32 8.07799268e+00 1.67638076e+01 1.91777744e+01 MONOATOMIC STRUCTURE (pbc=True)-- Species = Al (Configuration in file "config-T-Al.xyz") ----------------------------------------------------------------------------------------------------- Energy = 85.50390816744608 Forces: 1 -8.70757931e+00 -1.12689296e+01 -1.37867814e+01 2 -6.37520162e+00 1.10813860e+01 -1.46274238e+01 3 -2.97565847e+00 -1.54313868e+01 7.48426882e+00 4 -1.27060338e+01 6.02008606e+00 3.33000634e+00 5 1.30173776e+01 -1.84933855e+01 -1.04517266e+01 6 7.41673833e+00 1.37969579e+00 -1.11959178e+01 7 9.62391583e+00 -2.94763734e+01 -1.97109679e+01 8 -5.81410571e+00 -2.08340509e+01 -1.00928570e+01 9 -7.13009966e+00 -1.05751909e+01 -1.92911348e+01 10 -3.15177927e+00 1.64146120e+01 -1.97121934e+01 11 -3.87231005e+00 -7.05268305e+00 -2.47441914e+01 12 -1.58114922e+01 1.97549348e+01 4.96654541e+00 13 -5.24392723e+00 -8.50741142e+00 -4.11382895e+01 14 9.82635282e+00 1.05855197e+01 -7.43748702e+00 15 4.24063124e+01 2.51068665e+00 3.39895248e+00 16 8.46408570e+00 3.68981912e+01 4.86073909e+00 17 -1.22930718e+01 -8.54422950e+00 -1.50474606e+00 18 -5.52163502e+00 -7.32472615e+00 1.02840709e+01 19 3.99261220e+00 -1.12026022e+01 8.87375894e+00 20 -7.42907998e+00 5.40545650e+00 7.30681880e+00 21 -9.04411621e+00 -1.51709683e+01 8.80599827e+00 22 2.38575020e+01 1.53776763e+01 1.91834907e+01 23 5.11949354e+00 -3.16490107e+00 8.89518615e+00 24 1.14876618e+00 -4.59353870e+00 1.06791581e+01 25 -3.64630567e+01 7.95847100e-01 1.94724217e+01 26 -9.83912816e+00 2.95940266e+01 -9.41182423e-01 27 4.17354492e+00 -2.43059833e+01 1.49335697e+01 28 -2.45823899e+01 1.95978386e+01 6.07546044e+00 29 9.92631334e+00 -4.33803602e+00 2.19376761e+01 30 1.22896163e+01 1.50385020e+01 4.35282258e-01 31 1.76200412e+01 -6.93387011e+00 1.45337205e+01 32 8.07799268e+00 1.67638076e+01 1.91777744e+01 MONOATOMIC STRUCTURE (pbc=False)-- Species = Sm (Configuration in file "config-F-Sm.xyz") ----------------------------------------------------------------------------------------------------- Energy = 733.6805762446556 Forces: 1 -3.88782721e+01 -3.29330018e+01 -2.35898017e+01 2 -2.73239845e+01 -4.40248104e+00 -6.88883774e+01 3 -2.71503227e+01 -1.22065388e+02 -6.70347536e+01 4 -5.81569232e+01 -2.60291263e+01 -3.11132640e+01 5 2.17445402e+01 -5.03194866e+01 -2.60676530e+01 6 4.69098608e+01 -1.22710473e+01 -1.78018924e+01 7 3.15335283e+01 -1.78591534e+01 -1.36668295e+01 8 1.07520998e+02 1.62347196e+01 -4.30532449e+01 9 -3.56401001e+01 -5.24794413e+00 -3.27918817e+01 10 -2.51131662e+01 3.69214219e+01 -6.02377602e+01 11 -2.65206583e+01 2.83156003e+01 1.73271402e+01 12 -3.91922685e+01 3.80475390e+01 8.73753602e+00 13 2.22041748e+01 2.24733583e+01 -4.89278840e+01 14 3.74588658e+01 2.44776604e+01 -3.76102311e+01 15 2.56984171e+01 -3.73942734e+01 -2.76909848e+01 16 2.17178498e+01 4.18651443e+01 2.75930545e+01 17 -8.20937763e+01 -6.40936640e+01 -4.24050428e+01 18 -1.93006189e+01 5.78157118e+01 1.24565891e+02 19 6.84518761e+01 -3.77248083e+01 8.35824648e+01 20 -4.76080900e+01 1.89819917e+01 4.98333340e+01 21 -7.48441737e+00 -3.46937101e+01 1.05346739e+01 22 3.36296237e+01 -1.51571277e+01 -3.70674895e+01 23 2.47333042e+01 -2.19110244e+01 2.81434775e+01 24 1.75587740e+01 -3.97662009e+01 5.25512502e+01 25 -3.40443695e+01 3.47346238e+01 1.95189911e+01 26 -6.80659250e+01 7.88327217e+01 -1.55715925e+01 27 -8.93108736e+01 -4.13297287e+00 7.62240968e+01 28 -1.04317814e+01 1.56260164e+01 1.67380560e+01 29 9.03343369e+01 -4.94245151e+01 -7.47421088e+01 30 3.18489249e+01 5.31143712e+01 2.93558781e+01 31 3.35701952e+01 3.15542040e+01 4.48178003e+01 32 2.14002783e+01 7.64308413e+01 7.87371475e+01 MONOATOMIC STRUCTURE (pbc=True)-- Species = Sm (Configuration in file "config-T-Sm.xyz") ----------------------------------------------------------------------------------------------------- Energy = 733.6805762446556 Forces: 1 -3.88782721e+01 -3.29330018e+01 -2.35898017e+01 2 -2.73239845e+01 -4.40248104e+00 -6.88883774e+01 3 -2.71503227e+01 -1.22065388e+02 -6.70347536e+01 4 -5.81569232e+01 -2.60291263e+01 -3.11132640e+01 5 2.17445402e+01 -5.03194866e+01 -2.60676530e+01 6 4.69098608e+01 -1.22710473e+01 -1.78018924e+01 7 3.15335283e+01 -1.78591534e+01 -1.36668295e+01 8 1.07520998e+02 1.62347196e+01 -4.30532449e+01 9 -3.56401001e+01 -5.24794413e+00 -3.27918817e+01 10 -2.51131662e+01 3.69214219e+01 -6.02377602e+01 11 -2.65206583e+01 2.83156003e+01 1.73271402e+01 12 -3.91922685e+01 3.80475390e+01 8.73753602e+00 13 2.22041748e+01 2.24733583e+01 -4.89278840e+01 14 3.74588658e+01 2.44776604e+01 -3.76102311e+01 15 2.56984171e+01 -3.73942734e+01 -2.76909848e+01 16 2.17178498e+01 4.18651443e+01 2.75930545e+01 17 -8.20937763e+01 -6.40936640e+01 -4.24050428e+01 18 -1.93006189e+01 5.78157118e+01 1.24565891e+02 19 6.84518761e+01 -3.77248083e+01 8.35824648e+01 20 -4.76080900e+01 1.89819917e+01 4.98333340e+01 21 -7.48441737e+00 -3.46937101e+01 1.05346739e+01 22 3.36296237e+01 -1.51571277e+01 -3.70674895e+01 23 2.47333042e+01 -2.19110244e+01 2.81434775e+01 24 1.75587740e+01 -3.97662009e+01 5.25512502e+01 25 -3.40443695e+01 3.47346238e+01 1.95189911e+01 26 -6.80659250e+01 7.88327217e+01 -1.55715925e+01 27 -8.93108736e+01 -4.13297287e+00 7.62240968e+01 28 -1.04317814e+01 1.56260164e+01 1.67380560e+01 29 9.03343369e+01 -4.94245151e+01 -7.47421088e+01 30 3.18489249e+01 5.31143712e+01 2.93558781e+01 31 3.35701952e+01 3.15542040e+01 4.48178003e+01 32 2.14002783e+01 7.64308413e+01 7.87371475e+01 MIXED STRUCTURE (pbc=False)-- Species = Al Sm (Configuration in file "config-F-AlSm.xyz") ----------------------------------------------------------------------------------------------------- Energy = 506.5086254394506 Forces: 1 -3.31285081e+01 -3.48193261e+01 -4.69697489e+01 2 -1.19672147e+01 1.36340138e+01 -1.07671241e+02 3 -1.42963797e+01 -1.10668131e+02 -6.95201690e+01 4 -1.04085769e+02 4.39413827e+01 -3.67078590e+01 5 1.88088165e+01 -2.33129563e+01 -3.25257011e+01 6 2.08811904e+01 -5.67766878e+00 -2.01387291e+01 7 1.86941213e+01 -1.44486184e+01 -4.94792188e+00 8 8.94842281e+01 1.82937789e+01 -2.93176184e+01 9 -2.56496384e+01 1.08275813e+01 -2.15156682e+01 10 -2.16511583e+00 1.43746903e+01 -1.76603886e+01 11 -3.32550893e+01 6.20214329e+01 -3.30128727e+01 12 -1.63937768e+01 1.53076486e+01 1.14140644e+00 13 1.05891223e+01 1.84297243e+01 -3.73573517e+01 14 2.29951485e+01 1.21243056e+01 -2.50422313e+01 15 4.58702235e+01 -2.90579931e+01 -3.57212116e+01 16 -9.74510095e+00 2.91662246e+01 2.43662297e+00 17 -8.86547664e+01 -7.60749739e+01 5.58820584e+01 18 -2.33428117e+01 1.12074626e+01 7.63979577e+01 19 -6.20077626e+00 -4.76204640e+01 6.28623778e+01 20 -3.42492410e+01 -1.50769451e+01 2.92642208e+01 21 8.34885442e+01 -9.17618321e+01 3.58008015e+01 22 5.46657280e+01 1.15636436e+01 -3.38856262e+01 23 4.84214048e+01 -5.23240042e+01 3.10897961e+01 24 -2.04071136e+01 2.16709731e+01 7.38911382e+01 25 -5.25188253e+01 2.18595425e+01 9.08636952e+00 26 -1.21313965e+01 4.76418924e+01 1.25302194e+01 27 1.60807657e+01 1.65241165e+01 4.69955561e+01 28 -2.22362737e+01 2.28501982e+01 1.57621258e+01 29 2.70897617e+01 2.36823035e+01 2.48891695e+01 30 2.62839248e+01 6.59549954e+01 1.22594240e+01 31 2.74898850e+01 -5.76524430e+00 3.83069851e+01 32 -4.15067404e-01 2.55322463e+01 2.33981088e+01 MIXED STRUCTURE (pbc=True)-- Species = Al Sm (Configuration in file "config-T-AlSm.xyz") ----------------------------------------------------------------------------------------------------- Energy = 1890.9680529238783 Forces: 1 -3.67711714e+01 -4.35212782e+00 -5.46535455e+01 2 -1.58630617e+01 -2.95353379e+01 -6.90189782e+01 3 -2.48984687e+01 -4.28918848e+01 -4.12140749e+01 4 -8.99034885e+01 2.06365729e+01 -4.88277387e+01 5 3.70264092e+01 2.99087907e+01 -6.94593960e+01 6 3.10104927e+01 -1.92447891e+00 -2.61898287e+01 7 6.92918828e+00 1.25567362e+01 1.08412620e+01 8 1.00104961e+02 3.01081952e-01 -2.42916085e+01 9 -5.07162117e+01 5.83574302e+00 -3.90012908e+01 10 -3.15767425e+01 -2.22612553e+01 -7.62543424e+01 11 -2.69352078e+01 4.64150946e+01 -5.32447715e+01 12 -4.09735665e+01 -5.63158459e+00 9.68930780e+00 13 3.40246844e+01 8.38671346e+00 -6.13765862e+01 14 7.66231800e+01 -8.92109017e+00 -7.87791139e+01 15 3.83937833e+00 -3.15868344e+01 -1.58007724e+01 16 1.96369529e+01 -2.20261053e+00 4.22118471e+01 17 -7.04668163e+01 -6.66482672e+01 7.95312466e+01 18 1.43601931e+01 2.37160331e+00 1.14168632e+02 19 -1.39494556e+01 -1.70934135e+01 2.81021279e+01 20 -4.15924662e+01 -4.00935264e+01 3.92520729e+01 21 9.06276756e+01 -6.81305722e+01 7.06300110e+01 22 2.68900696e+01 9.49508825e+00 -2.64832095e+01 23 3.02261875e+01 -6.07943290e+01 2.57323631e+01 24 -2.78288769e+01 1.30405031e+01 5.48478953e+01 25 -7.30319944e+01 4.48357457e+01 2.54812167e+01 26 -1.40656405e+01 6.58447527e+01 8.86049166e+01 27 2.99405197e+01 3.35008238e+01 -2.23454682e+01 28 2.85169916e+00 5.66577867e+01 3.37915593e+00 29 8.25225696e+01 9.99871107e+00 7.59351400e+01 30 -9.26891072e+00 5.20692471e+01 5.62374167e+01 31 -4.46030621e+01 -2.63179186e+00 1.66956552e+01 32 2.58309800e+01 -7.15588981e+00 -3.43995413e+01 ================================================================================ VALGRIND OUTPUT ================================================================================ ==88493== Memcheck, a memory error detector ==88493== Copyright (C) 2002-2017, and GNU GPL'd, by Julian Seward et al. ==88493== Using Valgrind-3.13.0 and LibVEX; rerun with -h for copyright info ==88493== Command: python runner2.py EAM_Dynamo_MendelevFangYe_2015_AlSm__MO_338600200739_000 ==88493== ==88493== Conditional jump or move depends on uninitialised value(s) ==88493== at 0x4FCBE77: __wcsnlen_avx2 (strlen-avx2.S:261) ==88493== by 0x4EF9EC1: wcsrtombs (wcsrtombs.c:104) ==88493== by 0x4E7FB20: wcstombs (wcstombs.c:34) ==88493== by 0x547A3F: ??? (in /usr/bin/python3.6) ==88493== by 0x63345D: _Py_stat (in /usr/bin/python3.6) ==88493== by 0x5BA640: ??? (in /usr/bin/python3.6) ==88493== by 0x551B80: ??? (in /usr/bin/python3.6) ==88493== by 0x5AA6EB: _PyObject_FastCallKeywords (in /usr/bin/python3.6) ==88493== by 0x50ABB2: ??? (in /usr/bin/python3.6) ==88493== by 0x50C5B8: _PyEval_EvalFrameDefault (in /usr/bin/python3.6) ==88493== by 0x509D47: ??? (in /usr/bin/python3.6) ==88493== by 0x50AA7C: ??? (in /usr/bin/python3.6) ==88493== ==88493== Conditional jump or move depends on uninitialised value(s) ==88493== at 0x4E63408: internal_utf8_loop (loop.c:298) ==88493== by 0x4E63408: __gconv_transform_internal_utf8 (skeleton.c:609) ==88493== by 0x4EF9EF4: wcsrtombs (wcsrtombs.c:110) ==88493== by 0x4E7FB20: wcstombs (wcstombs.c:34) ==88493== by 0x547A3F: ??? (in /usr/bin/python3.6) ==88493== by 0x63345D: _Py_stat (in /usr/bin/python3.6) ==88493== by 0x5BA640: ??? (in /usr/bin/python3.6) ==88493== by 0x551B80: ??? (in /usr/bin/python3.6) ==88493== by 0x5AA6EB: _PyObject_FastCallKeywords (in /usr/bin/python3.6) ==88493== by 0x50ABB2: ??? (in /usr/bin/python3.6) ==88493== by 0x50C5B8: _PyEval_EvalFrameDefault (in /usr/bin/python3.6) ==88493== by 0x509D47: ??? (in /usr/bin/python3.6) ==88493== by 0x50AA7C: ??? (in /usr/bin/python3.6) ==88493== ==88493== Conditional jump or move depends on uninitialised value(s) ==88493== at 0x4E63411: internal_utf8_loop (loop.c:303) ==88493== by 0x4E63411: __gconv_transform_internal_utf8 (skeleton.c:609) ==88493== by 0x4EF9EF4: wcsrtombs (wcsrtombs.c:110) ==88493== by 0x4E7FB20: wcstombs (wcstombs.c:34) ==88493== by 0x547A3F: ??? (in /usr/bin/python3.6) ==88493== by 0x63345D: _Py_stat (in /usr/bin/python3.6) ==88493== by 0x5BA640: ??? (in /usr/bin/python3.6) ==88493== by 0x551B80: ??? (in /usr/bin/python3.6) ==88493== by 0x5AA6EB: _PyObject_FastCallKeywords (in /usr/bin/python3.6) ==88493== by 0x50ABB2: ??? (in /usr/bin/python3.6) ==88493== by 0x50C5B8: _PyEval_EvalFrameDefault (in /usr/bin/python3.6) ==88493== by 0x509D47: ??? (in /usr/bin/python3.6) ==88493== by 0x50AA7C: ??? (in /usr/bin/python3.6) ==88493== ==88493== Conditional jump or move depends on uninitialised value(s) ==88493== at 0x4E63458: internal_utf8_loop (loop.c:298) ==88493== by 0x4E63458: __gconv_transform_internal_utf8 (skeleton.c:609) ==88493== by 0x4EF9EF4: wcsrtombs (wcsrtombs.c:110) ==88493== by 0x4E7FB20: wcstombs (wcstombs.c:34) ==88493== by 0x547A3F: ??? (in /usr/bin/python3.6) ==88493== by 0x63345D: _Py_stat (in /usr/bin/python3.6) ==88493== by 0x5BA640: ??? (in /usr/bin/python3.6) ==88493== by 0x551B80: ??? (in /usr/bin/python3.6) ==88493== by 0x5AA6EB: _PyObject_FastCallKeywords (in /usr/bin/python3.6) ==88493== by 0x50ABB2: ??? (in /usr/bin/python3.6) ==88493== by 0x50C5B8: _PyEval_EvalFrameDefault (in /usr/bin/python3.6) ==88493== by 0x509D47: ??? (in /usr/bin/python3.6) ==88493== by 0x50AA7C: ??? (in /usr/bin/python3.6) ==88493== ==88493== Conditional jump or move depends on uninitialised value(s) ==88493== at 0x4FCBCEC: __wcsnlen_avx2 (strlen-avx2.S:103) ==88493== by 0x4EF9EC1: wcsrtombs (wcsrtombs.c:104) ==88493== by 0x4E7FB20: wcstombs (wcstombs.c:34) ==88493== by 0x547A3F: ??? (in /usr/bin/python3.6) ==88493== by 0x547D20: PyUnicode_FSConverter (in /usr/bin/python3.6) ==88493== by 0x4C51E6: ??? (in /usr/bin/python3.6) ==88493== by 0x4F8388: ??? (in /usr/bin/python3.6) ==88493== by 0x4FBD83: ??? (in /usr/bin/python3.6) ==88493== by 0x4FC914: _PyArg_ParseStack_SizeT (in /usr/bin/python3.6) ==88493== by 0x4C6C88: ??? (in /usr/bin/python3.6) ==88493== by 0x50A9D9: ??? (in /usr/bin/python3.6) ==88493== by 0x50C5B8: _PyEval_EvalFrameDefault (in /usr/bin/python3.6) ==88493== ==88493== ==88493== HEAP SUMMARY: ==88493== in use at exit: 2,764,995 bytes in 1,647 blocks ==88493== total heap usage: 58,726 allocs, 57,079 frees, 164,217,627 bytes allocated ==88493== ==88493== LEAK SUMMARY: ==88493== definitely lost: 0 bytes in 0 blocks ==88493== indirectly lost: 0 bytes in 0 blocks ==88493== possibly lost: 146,155 bytes in 87 blocks ==88493== still reachable: 2,618,840 bytes in 1,560 blocks ==88493== suppressed: 0 bytes in 0 blocks ==88493== Rerun with --leak-check=full to see details of leaked memory ==88493== ==88493== For counts of detected and suppressed errors, rerun with: -v ==88493== Use --track-origins=yes to see where uninitialised values come from ==88493== ERROR SUMMARY: 6672 errors from 5 contexts (suppressed: 12372 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. === Verification check vc-memory-leak end (2020-04-05 20:59:59) ===