!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!! !!!!! !!!!! 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 : MEAM_LAMMPS_CuiGaoCui_2012_LiSi__MO_557492625287_000 Supported species : Li Si random seed = 13 lattice constant (orig) = 3.000 perturbation amplitude = 0.300 number unit cells per side = 2 ----------------------------------------------------------------------------------------------------- MONOATOMIC STRUCTURE (pbc=False)-- Species = Li (Configuration in file "config-F-Li.xyz") ----------------------------------------------------------------------------------------------------- Energy = -3.0545387739455383 Forces: 1 -9.86053289e-01 -1.45974775e+00 -1.66937264e+00 2 -6.61780110e-01 2.09065224e+00 -2.57194096e+00 3 4.60789780e-01 -2.12768615e+00 4.77991813e-01 4 -2.15679693e+00 5.27596154e-01 1.05825498e+00 5 1.18006409e+00 -3.03066795e+00 -1.01998311e+00 6 1.57008870e+00 8.46446540e-01 -1.77777582e+00 7 2.00558002e+00 -4.01662022e+00 -2.61070281e+00 8 -2.22852310e+00 -1.19437116e+00 -4.92829895e-03 9 -1.73623959e+00 -1.25132156e+00 -3.59548961e+00 10 3.66288043e-01 3.34243406e+00 -3.80208160e+00 11 -1.34255098e+00 -2.53458440e+00 1.13300407e+00 12 -2.19298908e+00 2.97251660e+00 9.45417323e-01 13 -7.06126848e-01 -1.61324314e+00 -5.41353938e+00 14 1.70046160e+00 2.23422996e+00 -1.41048799e+00 15 4.57470011e+00 -1.10524166e+00 1.42835491e+00 16 6.80202164e-01 3.89932877e+00 2.64662538e+00 17 -3.28569039e+00 -1.75625788e+00 -1.10851577e+00 18 1.37387652e+00 1.42917350e+00 -1.18821706e+00 19 1.36915883e+00 -2.66532715e+00 2.24076407e+00 20 -2.02466086e+00 2.12637347e+00 2.15468346e+00 21 -1.66638860e+00 -2.98445373e+00 7.84954499e-01 22 3.57511277e+00 3.38417422e+00 1.81801478e+00 23 2.18003963e+00 -9.02946839e-01 1.40057347e+00 24 -1.72133796e+00 1.42670910e+00 1.98659683e+00 25 -2.31938565e+00 -1.17607924e+00 4.83282428e-01 26 -3.44840117e-02 3.60391206e+00 -1.55881189e+00 27 1.30276497e+00 -4.28751151e+00 2.59643882e+00 28 -3.41990482e+00 2.50078940e+00 1.51234910e+00 29 -1.69248333e+00 -2.17039591e+00 4.15707456e-01 30 1.58281395e+00 2.86805015e+00 -7.37874936e-01 31 3.53515869e+00 -2.09093149e+00 2.39596356e+00 32 7.18295687e-01 3.11500152e+00 2.99074491e+00 MONOATOMIC STRUCTURE (pbc=True)-- Species = Li (Configuration in file "config-T-Li.xyz") ----------------------------------------------------------------------------------------------------- Energy = -3.0545387739455383 Forces: 1 -9.86053289e-01 -1.45974775e+00 -1.66937264e+00 2 -6.61780110e-01 2.09065224e+00 -2.57194096e+00 3 4.60789780e-01 -2.12768615e+00 4.77991813e-01 4 -2.15679693e+00 5.27596154e-01 1.05825498e+00 5 1.18006409e+00 -3.03066795e+00 -1.01998311e+00 6 1.57008870e+00 8.46446540e-01 -1.77777582e+00 7 2.00558002e+00 -4.01662022e+00 -2.61070281e+00 8 -2.22852310e+00 -1.19437116e+00 -4.92829895e-03 9 -1.73623959e+00 -1.25132156e+00 -3.59548961e+00 10 3.66288043e-01 3.34243406e+00 -3.80208160e+00 11 -1.34255098e+00 -2.53458440e+00 1.13300407e+00 12 -2.19298908e+00 2.97251660e+00 9.45417323e-01 13 -7.06126848e-01 -1.61324314e+00 -5.41353938e+00 14 1.70046160e+00 2.23422996e+00 -1.41048799e+00 15 4.57470011e+00 -1.10524166e+00 1.42835491e+00 16 6.80202164e-01 3.89932877e+00 2.64662538e+00 17 -3.28569039e+00 -1.75625788e+00 -1.10851577e+00 18 1.37387652e+00 1.42917350e+00 -1.18821706e+00 19 1.36915883e+00 -2.66532715e+00 2.24076407e+00 20 -2.02466086e+00 2.12637347e+00 2.15468346e+00 21 -1.66638860e+00 -2.98445373e+00 7.84954499e-01 22 3.57511277e+00 3.38417422e+00 1.81801478e+00 23 2.18003963e+00 -9.02946839e-01 1.40057347e+00 24 -1.72133796e+00 1.42670910e+00 1.98659683e+00 25 -2.31938565e+00 -1.17607924e+00 4.83282428e-01 26 -3.44840117e-02 3.60391206e+00 -1.55881189e+00 27 1.30276497e+00 -4.28751151e+00 2.59643882e+00 28 -3.41990482e+00 2.50078940e+00 1.51234910e+00 29 -1.69248333e+00 -2.17039591e+00 4.15707456e-01 30 1.58281395e+00 2.86805015e+00 -7.37874936e-01 31 3.53515869e+00 -2.09093149e+00 2.39596356e+00 32 7.18295687e-01 3.11500152e+00 2.99074491e+00 MONOATOMIC STRUCTURE (pbc=False)-- Species = Si (Configuration in file "config-F-Si.xyz") ----------------------------------------------------------------------------------------------------- Energy = 369.3456047268085 Forces: 1 -1.66429797e+01 -2.18595817e+01 -1.67599247e+01 2 -6.65203553e+01 8.01190802e+01 -1.19582351e+02 3 -9.69589199e+01 -1.00677625e+02 4.00424814e+01 4 -4.07232936e+01 1.58319989e+01 1.92976573e+01 5 7.17460633e+01 -1.32160440e+02 -6.10663573e+01 6 1.81069136e+01 8.05475184e+00 -1.87973663e+01 7 1.57895610e+01 -3.02874962e+01 -4.19735509e+00 8 1.14388371e+02 8.19247100e+01 4.89394229e+01 9 -8.89732934e+00 5.90215864e+00 -1.25324876e+01 10 -2.14042131e+01 2.53577991e+01 -1.25335801e+01 11 -4.50250865e+01 -8.22670398e+00 -1.36037738e+01 12 -1.38292866e+01 2.53512444e+01 -1.95259541e+01 13 8.03839028e+00 -3.23495481e+01 -3.83833405e+01 14 2.76805578e+01 2.70246256e+01 -1.95004252e+01 15 2.80135933e+01 3.34090955e+00 -2.73822714e+01 16 -5.95887189e+00 7.44210837e+01 -9.84092308e+01 17 -5.22944161e+01 -3.98903713e+01 -3.92657412e+01 18 -1.94045320e+01 1.13621164e+02 -6.33475360e+00 19 2.85268118e+01 -6.90562615e+01 8.45893889e+01 20 -6.86478228e+01 6.11446163e+01 3.10351190e+01 21 7.95857845e+01 -1.16924297e+02 7.30815611e+00 22 1.37093570e+00 8.29140215e+00 1.17245177e+01 23 1.05186714e+01 -2.12299960e+01 2.41068284e+01 24 -3.09483207e+01 -3.37206042e+01 2.63955012e+01 25 -2.61710066e+01 -2.45035284e+01 1.25387516e+01 26 -7.17062513e+01 1.17927181e+02 1.36577335e+01 27 -1.31003111e+01 7.43167733e+00 3.09733567e+01 28 -1.17946326e+01 9.91528120e+00 1.60813009e+01 29 5.34354203e+01 -1.23121542e+02 6.12500151e+01 30 7.30682297e+01 3.67200692e+01 3.97107035e+01 31 6.34896917e+01 3.62627144e+01 6.52578138e+00 32 1.62686337e+01 1.53655276e+01 3.36981966e+01 MONOATOMIC STRUCTURE (pbc=True)-- Species = Si (Configuration in file "config-T-Si.xyz") ----------------------------------------------------------------------------------------------------- Energy = 369.3456047268085 Forces: 1 -1.66429797e+01 -2.18595817e+01 -1.67599247e+01 2 -6.65203553e+01 8.01190802e+01 -1.19582351e+02 3 -9.69589199e+01 -1.00677625e+02 4.00424814e+01 4 -4.07232936e+01 1.58319989e+01 1.92976573e+01 5 7.17460633e+01 -1.32160440e+02 -6.10663573e+01 6 1.81069136e+01 8.05475184e+00 -1.87973663e+01 7 1.57895610e+01 -3.02874962e+01 -4.19735509e+00 8 1.14388371e+02 8.19247100e+01 4.89394229e+01 9 -8.89732934e+00 5.90215864e+00 -1.25324876e+01 10 -2.14042131e+01 2.53577991e+01 -1.25335801e+01 11 -4.50250865e+01 -8.22670398e+00 -1.36037738e+01 12 -1.38292866e+01 2.53512444e+01 -1.95259541e+01 13 8.03839028e+00 -3.23495481e+01 -3.83833405e+01 14 2.76805578e+01 2.70246256e+01 -1.95004252e+01 15 2.80135933e+01 3.34090955e+00 -2.73822714e+01 16 -5.95887189e+00 7.44210837e+01 -9.84092308e+01 17 -5.22944161e+01 -3.98903713e+01 -3.92657412e+01 18 -1.94045320e+01 1.13621164e+02 -6.33475360e+00 19 2.85268118e+01 -6.90562615e+01 8.45893889e+01 20 -6.86478228e+01 6.11446163e+01 3.10351190e+01 21 7.95857845e+01 -1.16924297e+02 7.30815611e+00 22 1.37093570e+00 8.29140215e+00 1.17245177e+01 23 1.05186714e+01 -2.12299960e+01 2.41068284e+01 24 -3.09483207e+01 -3.37206042e+01 2.63955012e+01 25 -2.61710066e+01 -2.45035284e+01 1.25387516e+01 26 -7.17062513e+01 1.17927181e+02 1.36577335e+01 27 -1.31003111e+01 7.43167733e+00 3.09733567e+01 28 -1.17946326e+01 9.91528120e+00 1.60813009e+01 29 5.34354203e+01 -1.23121542e+02 6.12500151e+01 30 7.30682297e+01 3.67200692e+01 3.97107035e+01 31 6.34896917e+01 3.62627144e+01 6.52578138e+00 32 1.62686337e+01 1.53655276e+01 3.36981966e+01 MIXED STRUCTURE (pbc=False)-- Species = Li Si (Configuration in file "config-F-LiSi.xyz") ----------------------------------------------------------------------------------------------------- Energy = 131.25731691737712 Forces: 1 -1.14244632e+01 -2.06424595e+01 -2.17946659e+01 2 -1.62340592e+01 5.80751762e+00 -1.17925715e+01 3 -1.99387271e+01 -3.76895343e+01 -1.27049883e+01 4 -1.18854016e+01 2.38375910e+01 8.54602797e+00 5 6.25001413e+00 -3.22820219e+01 -2.97479039e+01 6 5.16119531e+01 -1.48244389e+01 -1.78574862e+01 7 1.58772571e+01 -1.44109982e+01 1.23109034e+01 8 2.41747890e+01 2.34048491e+01 -1.08720169e+01 9 -4.39437065e+00 -3.39066117e+00 -2.48048314e+00 10 1.64393139e+00 6.64260384e+00 -1.36478503e+01 11 -2.54129326e+00 -1.08281782e+00 -1.59001176e+00 12 -6.91789864e+00 2.65646835e+00 7.37605974e+00 13 -2.39004311e+01 4.92623809e+01 -1.64657105e+01 14 3.98922066e+00 3.00376044e+00 -2.27721610e+00 15 5.67313178e+00 -8.73474956e+00 -1.48707778e+01 16 2.91805074e+00 4.38682778e+00 2.15993422e+00 17 -3.13438777e+01 -1.87326390e+01 5.83244286e+00 18 -1.04124289e+01 1.92126680e+00 2.32903922e+01 19 1.08604605e+01 -4.55536693e+00 1.46315085e+01 20 -5.05351242e+01 -7.19001776e+01 4.76810960e+01 21 9.21919363e+00 -1.91939206e+01 1.66143957e+01 22 9.71613869e+00 1.48008056e+00 -4.08218819e+00 23 3.95957168e+00 -5.95844024e+00 3.98153751e+00 24 -7.83586343e+00 2.73116097e+00 8.65921198e+00 25 -3.18463799e+01 2.00636169e+01 -7.81144782e+01 26 -5.49290446e-01 6.45247017e+00 -8.68150601e-01 27 8.10841906e+01 2.70289498e+01 3.28023911e+01 28 -1.26111835e+01 3.31277586e+01 1.36577008e+01 29 4.77328951e-01 2.57944341e+01 2.21291256e+01 30 6.34287817e+00 4.25216866e+01 -1.53988805e+01 31 4.99241041e+00 -2.61027420e+01 3.31977428e+01 32 3.58027243e+00 -6.22455923e-01 1.69490949e+00 MIXED STRUCTURE (pbc=True)-- Species = Li Si (Configuration in file "config-T-LiSi.xyz") ----------------------------------------------------------------------------------------------------- Energy = 139.27173746329728 Forces: 1 -1.03376500e+01 4.05211662e-01 -5.96062037e+01 2 -7.58137195e+00 -4.93225452e+00 8.12477500e+00 3 9.23559549e+00 -1.48711055e+01 1.21364052e+00 4 -4.43534821e-01 3.72903880e+01 7.05210606e+00 5 2.42623017e+01 -9.83103643e+00 -3.41214512e+01 6 4.01614790e+01 -1.36556872e+01 -1.90529239e+01 7 -3.68616126e+01 -1.46220646e+01 3.22409226e+01 8 2.15725538e+01 9.74560249e+00 -1.85758515e+01 9 -2.98019534e+00 5.32673585e-01 9.23707095e+00 10 1.34417052e+01 -2.72913516e+01 -1.38838647e+01 11 -2.42648659e+00 -7.60338191e-01 -1.93547238e+00 12 -4.64574123e+00 -1.32092908e+01 1.13483266e+01 13 -1.83298222e+01 4.03960416e+01 -1.27882042e+01 14 -1.54882775e+00 2.71938369e+00 2.52758293e+00 15 4.04443008e+00 -4.32697521e-01 -1.36747669e+01 16 1.35905830e+00 -3.96491155e+00 1.52607607e+00 17 -3.92122236e+01 -6.88860747e+00 3.21647235e+01 18 -8.58798290e+00 5.22371929e-02 2.10750405e+01 19 4.46628143e+00 -6.41865085e+00 1.54127492e+01 20 -7.35888047e+01 -1.14693012e+02 5.35694622e+01 21 9.85031198e+00 -1.39273488e+01 1.30611220e+01 22 5.16681733e+00 -7.48483388e+00 -5.05106918e-01 23 2.91609961e+00 1.34547056e-02 3.27508853e+00 24 2.77675461e+00 2.09901012e+00 1.99723166e+00 25 -3.61634307e+00 1.45271262e+01 -1.14102067e+02 26 1.96115059e+00 2.35148651e+00 -1.51681849e+00 27 9.84827467e+01 5.76000963e+01 1.91936241e+01 28 3.79013058e+01 6.26726185e+01 2.87388114e+01 29 5.23931595e-01 2.66137470e+01 2.34571783e+01 30 -1.20442332e+01 6.42442239e+01 -5.33473632e+01 31 -6.01784554e+01 -6.45660258e+01 6.06861592e+01 32 4.26076223e+00 -3.71408486e+00 -2.79159703e+00 ================================================================================ VALGRIND OUTPUT ================================================================================ ==18243== Memcheck, a memory error detector ==18243== Copyright (C) 2002-2017, and GNU GPL'd, by Julian Seward et al. ==18243== Using Valgrind-3.13.0 and LibVEX; rerun with -h for copyright info ==18243== Command: python runner2.py MEAM_LAMMPS_CuiGaoCui_2012_LiSi__MO_557492625287_000 ==18243== ==18243== Conditional jump or move depends on uninitialised value(s) ==18243== at 0x4FCDC2C: __wcsnlen_avx2 (strlen-avx2.S:106) ==18243== by 0x4EFBCA1: wcsrtombs (wcsrtombs.c:104) ==18243== by 0x4E81C40: wcstombs (wcstombs.c:34) ==18243== by 0x5471CF: ??? (in /usr/bin/python3.6) ==18243== by 0x6330AD: _Py_stat (in /usr/bin/python3.6) ==18243== by 0x5B9C10: ??? (in /usr/bin/python3.6) ==18243== by 0x5515C0: ??? (in /usr/bin/python3.6) ==18243== by 0x5A9DAB: _PyObject_FastCallKeywords (in /usr/bin/python3.6) ==18243== by 0x50A432: ??? (in /usr/bin/python3.6) ==18243== by 0x50BEB3: _PyEval_EvalFrameDefault (in /usr/bin/python3.6) ==18243== by 0x5095C7: ??? (in /usr/bin/python3.6) ==18243== by 0x50A2FC: ??? (in /usr/bin/python3.6) ==18243== ==18243== Conditional jump or move depends on uninitialised value(s) ==18243== at 0x4E654E8: internal_utf8_loop (loop.c:298) ==18243== by 0x4E654E8: __gconv_transform_internal_utf8 (skeleton.c:609) ==18243== by 0x4EFBCD4: wcsrtombs (wcsrtombs.c:110) ==18243== by 0x4E81C40: wcstombs (wcstombs.c:34) ==18243== by 0x5471CF: ??? (in /usr/bin/python3.6) ==18243== by 0x6330AD: _Py_stat (in /usr/bin/python3.6) ==18243== by 0x5B9C10: ??? (in /usr/bin/python3.6) ==18243== by 0x5515C0: ??? (in /usr/bin/python3.6) ==18243== by 0x5A9DAB: _PyObject_FastCallKeywords (in /usr/bin/python3.6) ==18243== by 0x50A432: ??? (in /usr/bin/python3.6) ==18243== by 0x50BEB3: _PyEval_EvalFrameDefault (in /usr/bin/python3.6) ==18243== by 0x5095C7: ??? (in /usr/bin/python3.6) ==18243== by 0x50A2FC: ??? (in /usr/bin/python3.6) ==18243== ==18243== Conditional jump or move depends on uninitialised value(s) ==18243== at 0x4E654F1: internal_utf8_loop (loop.c:303) ==18243== by 0x4E654F1: __gconv_transform_internal_utf8 (skeleton.c:609) ==18243== by 0x4EFBCD4: wcsrtombs (wcsrtombs.c:110) ==18243== by 0x4E81C40: wcstombs (wcstombs.c:34) ==18243== by 0x5471CF: ??? (in /usr/bin/python3.6) ==18243== by 0x6330AD: _Py_stat (in /usr/bin/python3.6) ==18243== by 0x5B9C10: ??? (in /usr/bin/python3.6) ==18243== by 0x5515C0: ??? (in /usr/bin/python3.6) ==18243== by 0x5A9DAB: _PyObject_FastCallKeywords (in /usr/bin/python3.6) ==18243== by 0x50A432: ??? (in /usr/bin/python3.6) ==18243== by 0x50BEB3: _PyEval_EvalFrameDefault (in /usr/bin/python3.6) ==18243== by 0x5095C7: ??? (in /usr/bin/python3.6) ==18243== by 0x50A2FC: ??? (in /usr/bin/python3.6) ==18243== ==18243== Conditional jump or move depends on uninitialised value(s) ==18243== at 0x4E65538: internal_utf8_loop (loop.c:298) ==18243== by 0x4E65538: __gconv_transform_internal_utf8 (skeleton.c:609) ==18243== by 0x4EFBCD4: wcsrtombs (wcsrtombs.c:110) ==18243== by 0x4E81C40: wcstombs (wcstombs.c:34) ==18243== by 0x5471CF: ??? (in /usr/bin/python3.6) ==18243== by 0x6330AD: _Py_stat (in /usr/bin/python3.6) ==18243== by 0x5B9C10: ??? (in /usr/bin/python3.6) ==18243== by 0x5515C0: ??? (in /usr/bin/python3.6) ==18243== by 0x5A9DAB: _PyObject_FastCallKeywords (in /usr/bin/python3.6) ==18243== by 0x50A432: ??? (in /usr/bin/python3.6) ==18243== by 0x50BEB3: _PyEval_EvalFrameDefault (in /usr/bin/python3.6) ==18243== by 0x5095C7: ??? (in /usr/bin/python3.6) ==18243== by 0x50A2FC: ??? (in /usr/bin/python3.6) ==18243== ==18243== Conditional jump or move depends on uninitialised value(s) ==18243== at 0x4FCDDB7: __wcsnlen_avx2 (strlen-avx2.S:264) ==18243== by 0x4EFBCA1: wcsrtombs (wcsrtombs.c:104) ==18243== by 0x4E81C40: wcstombs (wcstombs.c:34) ==18243== by 0x5471CF: ??? (in /usr/bin/python3.6) ==18243== by 0x5474B0: PyUnicode_FSConverter (in /usr/bin/python3.6) ==18243== by 0x4C4D46: ??? (in /usr/bin/python3.6) ==18243== by 0x4F7E48: ??? (in /usr/bin/python3.6) ==18243== by 0x4FB843: ??? (in /usr/bin/python3.6) ==18243== by 0x4FC3D4: _PyArg_ParseStack_SizeT (in /usr/bin/python3.6) ==18243== by 0x4C6448: ??? (in /usr/bin/python3.6) ==18243== by 0x50A259: ??? (in /usr/bin/python3.6) ==18243== by 0x50BEB3: _PyEval_EvalFrameDefault (in /usr/bin/python3.6) ==18243== ==18243== Mismatched free() / delete / delete [] ==18243== at 0x4C3323B: operator delete(void*) (in /usr/lib/valgrind/vgpreload_memcheck-amd64-linux.so) ==18243== by 0x7E57B600: MEAMC::ProcessLibraryFile(_IO_FILE*, int, std::vector, std::allocator >, std::allocator, std::allocator > > > const&) (in /home/worker-user1/.kim-api/2.2.1+GNU.GNU.GNU.2021-02-02-02-50-37/model-drivers-dir/MEAM_LAMMPS__MD_249792265679_000/libkim-api-model-driver.so) ==18243== by 0x7E45D83F: MEAMImplementation::ProcessParameterFiles(KIM::ModelDriverCreate*, int, _IO_FILE* const*) (in /home/worker-user1/.kim-api/2.2.1+GNU.GNU.GNU.2021-02-02-02-50-37/model-drivers-dir/MEAM_LAMMPS__MD_249792265679_000/libkim-api-model-driver.so) ==18243== by 0x7E45FCF6: MEAMImplementation::MEAMImplementation(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /home/worker-user1/.kim-api/2.2.1+GNU.GNU.GNU.2021-02-02-02-50-37/model-drivers-dir/MEAM_LAMMPS__MD_249792265679_000/libkim-api-model-driver.so) ==18243== by 0x7E441A01: MEAM::MEAM(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /home/worker-user1/.kim-api/2.2.1+GNU.GNU.GNU.2021-02-02-02-50-37/model-drivers-dir/MEAM_LAMMPS__MD_249792265679_000/libkim-api-model-driver.so) ==18243== by 0x7E442E8D: ModelDriverCreateRoutine (in /home/worker-user1/.kim-api/2.2.1+GNU.GNU.GNU.2021-02-02-02-50-37/model-drivers-dir/MEAM_LAMMPS__MD_249792265679_000/libkim-api-model-driver.so) ==18243== by 0x78A59DDF: KIM::ModelImplementation::InitializeParameterizedModel(KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, KIM::Collections*) (in /usr/local/lib/libkim-api.so.2.2.1) ==18243== by 0x78A5AF90: KIM::ModelImplementation::ModelCreate(KIM::Numbering, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, std::__cxx11::basic_string, std::allocator > const&) (in /usr/local/lib/libkim-api.so.2.2.1) ==18243== by 0x78A5F20A: KIM::ModelImplementation::Create(KIM::Numbering, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, std::__cxx11::basic_string, std::allocator > const&, int*, KIM::ModelImplementation**) (in /usr/local/lib/libkim-api.so.2.2.1) ==18243== by 0x78A13960: KIM::Model::Create(KIM::Numbering, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, std::__cxx11::basic_string, std::allocator > const&, int*, KIM::Model**) (in /usr/local/lib/libkim-api.so.2.2.1) ==18243== by 0x78792CC7: void pybind11::cpp_function::initialize, std::allocator > const&)#15}, pybind11::tuple, KIM::Numbering, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, std::__cxx11::basic_string, std::allocator > const&, pybind11::name, pybind11::scope, pybind11::sibling, pybind11::arg, pybind11::sibling, pybind11::sibling, pybind11::sibling, pybind11::sibling, pybind11::sibling, pybind11::sibling, char [45]>(pybind11_init_model(pybind11::module_&)::{lambda(KIM::Numbering, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, std::__cxx11::basic_string, std::allocator > const&)#15}&&, pybind11::tuple (*)(KIM::Numbering, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, std::__cxx11::basic_string, std::allocator > const&), pybind11::name const&, pybind11::scope const&, pybind11::sibling const&, pybind11::arg const&, pybind11::sibling const&, pybind11::sibling const&, pybind11::sibling const&, pybind11::sibling const&, pybind11::sibling const&, pybind11::sibling const&, char const (&) [45])::{lambda(pybind11::detail::function_call&)#3}::_FUN(pybind11::detail::function_call) (KIM_Model_bind.cpp:314) ==18243== by 0x787A191A: pybind11::cpp_function::dispatcher(_object*, _object*, _object*) (pybind11.h:767) ==18243== Address 0x55b58b00 is 0 bytes inside a block of size 1,024 alloc'd ==18243== at 0x4C3289F: operator new[](unsigned long) (in /usr/lib/valgrind/vgpreload_memcheck-amd64-linux.so) ==18243== by 0x7E57AC08: MEAMC::ProcessLibraryFile(_IO_FILE*, int, std::vector, std::allocator >, std::allocator, std::allocator > > > const&) (in /home/worker-user1/.kim-api/2.2.1+GNU.GNU.GNU.2021-02-02-02-50-37/model-drivers-dir/MEAM_LAMMPS__MD_249792265679_000/libkim-api-model-driver.so) ==18243== by 0x7E45D83F: MEAMImplementation::ProcessParameterFiles(KIM::ModelDriverCreate*, int, _IO_FILE* const*) (in /home/worker-user1/.kim-api/2.2.1+GNU.GNU.GNU.2021-02-02-02-50-37/model-drivers-dir/MEAM_LAMMPS__MD_249792265679_000/libkim-api-model-driver.so) ==18243== by 0x7E45FCF6: MEAMImplementation::MEAMImplementation(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /home/worker-user1/.kim-api/2.2.1+GNU.GNU.GNU.2021-02-02-02-50-37/model-drivers-dir/MEAM_LAMMPS__MD_249792265679_000/libkim-api-model-driver.so) ==18243== by 0x7E441A01: MEAM::MEAM(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /home/worker-user1/.kim-api/2.2.1+GNU.GNU.GNU.2021-02-02-02-50-37/model-drivers-dir/MEAM_LAMMPS__MD_249792265679_000/libkim-api-model-driver.so) ==18243== by 0x7E442E8D: ModelDriverCreateRoutine (in /home/worker-user1/.kim-api/2.2.1+GNU.GNU.GNU.2021-02-02-02-50-37/model-drivers-dir/MEAM_LAMMPS__MD_249792265679_000/libkim-api-model-driver.so) ==18243== by 0x78A59DDF: KIM::ModelImplementation::InitializeParameterizedModel(KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, KIM::Collections*) (in /usr/local/lib/libkim-api.so.2.2.1) ==18243== by 0x78A5AF90: KIM::ModelImplementation::ModelCreate(KIM::Numbering, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, std::__cxx11::basic_string, std::allocator > const&) (in /usr/local/lib/libkim-api.so.2.2.1) ==18243== by 0x78A5F20A: KIM::ModelImplementation::Create(KIM::Numbering, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, std::__cxx11::basic_string, std::allocator > const&, int*, KIM::ModelImplementation**) (in /usr/local/lib/libkim-api.so.2.2.1) ==18243== by 0x78A13960: KIM::Model::Create(KIM::Numbering, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, std::__cxx11::basic_string, std::allocator > const&, int*, KIM::Model**) (in /usr/local/lib/libkim-api.so.2.2.1) ==18243== by 0x78792CC7: void pybind11::cpp_function::initialize, std::allocator > const&)#15}, pybind11::tuple, KIM::Numbering, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, std::__cxx11::basic_string, std::allocator > const&, pybind11::name, pybind11::scope, pybind11::sibling, pybind11::arg, pybind11::sibling, pybind11::sibling, pybind11::sibling, pybind11::sibling, pybind11::sibling, pybind11::sibling, char [45]>(pybind11_init_model(pybind11::module_&)::{lambda(KIM::Numbering, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, std::__cxx11::basic_string, std::allocator > const&)#15}&&, pybind11::tuple (*)(KIM::Numbering, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, std::__cxx11::basic_string, std::allocator > const&), pybind11::name const&, pybind11::scope const&, pybind11::sibling const&, pybind11::arg const&, pybind11::sibling const&, pybind11::sibling const&, pybind11::sibling const&, pybind11::sibling const&, pybind11::sibling const&, pybind11::sibling const&, char const (&) [45])::{lambda(pybind11::detail::function_call&)#3}::_FUN(pybind11::detail::function_call) (KIM_Model_bind.cpp:314) ==18243== by 0x787A191A: pybind11::cpp_function::dispatcher(_object*, _object*, _object*) (pybind11.h:767) ==18243== ==18243== Mismatched free() / delete / delete [] ==18243== at 0x4C3323B: operator delete(void*) (in /usr/lib/valgrind/vgpreload_memcheck-amd64-linux.so) ==18243== by 0x7E575848: MEAMC::ProcessParameterFile(_IO_FILE*, int) (in /home/worker-user1/.kim-api/2.2.1+GNU.GNU.GNU.2021-02-02-02-50-37/model-drivers-dir/MEAM_LAMMPS__MD_249792265679_000/libkim-api-model-driver.so) ==18243== by 0x7E45D86E: MEAMImplementation::ProcessParameterFiles(KIM::ModelDriverCreate*, int, _IO_FILE* const*) (in /home/worker-user1/.kim-api/2.2.1+GNU.GNU.GNU.2021-02-02-02-50-37/model-drivers-dir/MEAM_LAMMPS__MD_249792265679_000/libkim-api-model-driver.so) ==18243== by 0x7E45FCF6: MEAMImplementation::MEAMImplementation(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /home/worker-user1/.kim-api/2.2.1+GNU.GNU.GNU.2021-02-02-02-50-37/model-drivers-dir/MEAM_LAMMPS__MD_249792265679_000/libkim-api-model-driver.so) ==18243== by 0x7E441A01: MEAM::MEAM(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /home/worker-user1/.kim-api/2.2.1+GNU.GNU.GNU.2021-02-02-02-50-37/model-drivers-dir/MEAM_LAMMPS__MD_249792265679_000/libkim-api-model-driver.so) ==18243== by 0x7E442E8D: ModelDriverCreateRoutine (in /home/worker-user1/.kim-api/2.2.1+GNU.GNU.GNU.2021-02-02-02-50-37/model-drivers-dir/MEAM_LAMMPS__MD_249792265679_000/libkim-api-model-driver.so) ==18243== by 0x78A59DDF: KIM::ModelImplementation::InitializeParameterizedModel(KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, KIM::Collections*) (in /usr/local/lib/libkim-api.so.2.2.1) ==18243== by 0x78A5AF90: KIM::ModelImplementation::ModelCreate(KIM::Numbering, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, std::__cxx11::basic_string, std::allocator > const&) (in /usr/local/lib/libkim-api.so.2.2.1) ==18243== by 0x78A5F20A: KIM::ModelImplementation::Create(KIM::Numbering, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, std::__cxx11::basic_string, std::allocator > const&, int*, KIM::ModelImplementation**) (in /usr/local/lib/libkim-api.so.2.2.1) ==18243== by 0x78A13960: KIM::Model::Create(KIM::Numbering, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, std::__cxx11::basic_string, std::allocator > const&, int*, KIM::Model**) (in /usr/local/lib/libkim-api.so.2.2.1) ==18243== by 0x78792CC7: void pybind11::cpp_function::initialize, std::allocator > const&)#15}, pybind11::tuple, KIM::Numbering, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, std::__cxx11::basic_string, std::allocator > const&, pybind11::name, pybind11::scope, pybind11::sibling, pybind11::arg, pybind11::sibling, pybind11::sibling, pybind11::sibling, pybind11::sibling, pybind11::sibling, pybind11::sibling, char [45]>(pybind11_init_model(pybind11::module_&)::{lambda(KIM::Numbering, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, std::__cxx11::basic_string, std::allocator > const&)#15}&&, pybind11::tuple (*)(KIM::Numbering, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, std::__cxx11::basic_string, std::allocator > const&), pybind11::name const&, pybind11::scope const&, pybind11::sibling const&, pybind11::arg const&, pybind11::sibling const&, pybind11::sibling const&, pybind11::sibling const&, pybind11::sibling const&, pybind11::sibling const&, pybind11::sibling const&, char const (&) [45])::{lambda(pybind11::detail::function_call&)#3}::_FUN(pybind11::detail::function_call) (KIM_Model_bind.cpp:314) ==18243== by 0x787A191A: pybind11::cpp_function::dispatcher(_object*, _object*, _object*) (pybind11.h:767) ==18243== Address 0x55b59d90 is 0 bytes inside a block of size 1,024 alloc'd ==18243== at 0x4C3289F: operator new[](unsigned long) (in /usr/lib/valgrind/vgpreload_memcheck-amd64-linux.so) ==18243== by 0x7E57564A: MEAMC::ProcessParameterFile(_IO_FILE*, int) (in /home/worker-user1/.kim-api/2.2.1+GNU.GNU.GNU.2021-02-02-02-50-37/model-drivers-dir/MEAM_LAMMPS__MD_249792265679_000/libkim-api-model-driver.so) ==18243== by 0x7E45D86E: MEAMImplementation::ProcessParameterFiles(KIM::ModelDriverCreate*, int, _IO_FILE* const*) (in /home/worker-user1/.kim-api/2.2.1+GNU.GNU.GNU.2021-02-02-02-50-37/model-drivers-dir/MEAM_LAMMPS__MD_249792265679_000/libkim-api-model-driver.so) ==18243== by 0x7E45FCF6: MEAMImplementation::MEAMImplementation(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /home/worker-user1/.kim-api/2.2.1+GNU.GNU.GNU.2021-02-02-02-50-37/model-drivers-dir/MEAM_LAMMPS__MD_249792265679_000/libkim-api-model-driver.so) ==18243== by 0x7E441A01: MEAM::MEAM(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /home/worker-user1/.kim-api/2.2.1+GNU.GNU.GNU.2021-02-02-02-50-37/model-drivers-dir/MEAM_LAMMPS__MD_249792265679_000/libkim-api-model-driver.so) ==18243== by 0x7E442E8D: ModelDriverCreateRoutine (in /home/worker-user1/.kim-api/2.2.1+GNU.GNU.GNU.2021-02-02-02-50-37/model-drivers-dir/MEAM_LAMMPS__MD_249792265679_000/libkim-api-model-driver.so) ==18243== by 0x78A59DDF: KIM::ModelImplementation::InitializeParameterizedModel(KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, KIM::Collections*) (in /usr/local/lib/libkim-api.so.2.2.1) ==18243== by 0x78A5AF90: KIM::ModelImplementation::ModelCreate(KIM::Numbering, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, std::__cxx11::basic_string, std::allocator > const&) (in /usr/local/lib/libkim-api.so.2.2.1) ==18243== by 0x78A5F20A: KIM::ModelImplementation::Create(KIM::Numbering, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, std::__cxx11::basic_string, std::allocator > const&, int*, KIM::ModelImplementation**) (in /usr/local/lib/libkim-api.so.2.2.1) ==18243== by 0x78A13960: KIM::Model::Create(KIM::Numbering, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, std::__cxx11::basic_string, std::allocator > const&, int*, KIM::Model**) (in /usr/local/lib/libkim-api.so.2.2.1) ==18243== by 0x78792CC7: void pybind11::cpp_function::initialize, std::allocator > const&)#15}, pybind11::tuple, KIM::Numbering, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, std::__cxx11::basic_string, std::allocator > const&, pybind11::name, pybind11::scope, pybind11::sibling, pybind11::arg, pybind11::sibling, pybind11::sibling, pybind11::sibling, pybind11::sibling, pybind11::sibling, pybind11::sibling, char [45]>(pybind11_init_model(pybind11::module_&)::{lambda(KIM::Numbering, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, std::__cxx11::basic_string, std::allocator > const&)#15}&&, pybind11::tuple (*)(KIM::Numbering, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, std::__cxx11::basic_string, std::allocator > const&), pybind11::name const&, pybind11::scope const&, pybind11::sibling const&, pybind11::arg const&, pybind11::sibling const&, pybind11::sibling const&, pybind11::sibling const&, pybind11::sibling const&, pybind11::sibling const&, pybind11::sibling const&, char const (&) [45])::{lambda(pybind11::detail::function_call&)#3}::_FUN(pybind11::detail::function_call) (KIM_Model_bind.cpp:314) ==18243== by 0x787A191A: pybind11::cpp_function::dispatcher(_object*, _object*, _object*) (pybind11.h:767) ==18243== ==18243== ==18243== HEAP SUMMARY: ==18243== in use at exit: 2,776,687 bytes in 1,540 blocks ==18243== total heap usage: 92,641 allocs, 91,101 frees, 119,745,554 bytes allocated ==18243== ==18243== LEAK SUMMARY: ==18243== definitely lost: 0 bytes in 0 blocks ==18243== indirectly lost: 0 bytes in 0 blocks ==18243== possibly lost: 145,616 bytes in 85 blocks ==18243== still reachable: 2,631,071 bytes in 1,455 blocks ==18243== suppressed: 0 bytes in 0 blocks ==18243== Rerun with --leak-check=full to see details of leaked memory ==18243== ==18243== For counts of detected and suppressed errors, rerun with: -v ==18243== Use --track-origins=yes to see where uninitialised values come from ==18243== ERROR SUMMARY: 6692 errors from 7 contexts (suppressed: 12670 from 684) ================================================================================ 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.