!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!! !!!!! !!!!! 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_JangKimLee_2018_ZnMg__MO_474962707676_000 Supported species : Mg Zn random seed = 13 lattice constant (orig) = 3.000 perturbation amplitude = 0.300 number unit cells per side = 2 ----------------------------------------------------------------------------------------------------- MONOATOMIC STRUCTURE (pbc=False)-- Species = Mg (Configuration in file "config-F-Mg.xyz") ----------------------------------------------------------------------------------------------------- Energy = 199.94720147435913 Forces: 1 -6.30289807e+00 -8.58188596e+00 -9.67306562e+00 2 -4.55813565e+00 8.86606437e+00 -1.37885068e+01 3 2.77137700e+00 -1.51656673e+01 -2.15501800e+00 4 -1.21262042e+01 5.33435212e+00 1.57662720e+00 5 7.47460824e+00 -1.71062193e+01 -5.32429551e+00 6 7.41608415e+00 -8.41611593e-01 -1.03881363e+01 7 6.88111061e+00 -2.02030482e+01 -1.43392285e+01 8 -8.72778843e+00 -8.50499898e+00 2.38630136e-01 9 -1.09016981e+01 -1.04306971e+01 -2.05650050e+01 10 5.45232739e-01 1.96726918e+01 -2.31662255e+01 11 -3.08660691e+00 -1.49925553e+01 3.84212690e+00 12 -1.63261795e+01 1.73911136e+01 8.90199358e+00 13 -8.60774919e+00 -9.27025268e-01 -3.19429358e+01 14 1.03391450e+01 1.51552512e+01 -9.53328692e+00 15 2.85837308e+01 -6.30073452e+00 1.40343216e+01 16 7.24727044e+00 1.86766941e+01 5.50377681e+00 17 -1.71397782e+01 -1.10277641e+01 -2.53160994e+00 18 5.56039727e+00 9.11567414e+00 1.80785939e+00 19 3.82601945e+00 -1.33575203e+01 1.02595321e+01 20 -8.79577576e+00 6.76107496e+00 1.09308951e+01 21 -8.15723437e+00 -1.51823462e+01 2.83443575e+00 22 2.08196700e+01 1.34789544e+01 1.12535284e+01 23 9.41097472e+00 -4.87455210e+00 9.56766673e+00 24 -1.19750251e+00 5.81969719e+00 1.03286413e+01 25 -1.31471904e+01 -2.61663593e+00 -2.07113572e+00 26 -4.36680203e+00 1.87726629e+01 -4.86930294e+00 27 5.31814279e+00 -2.01237839e+01 1.37089325e+01 28 -2.06066612e+01 1.70701338e+01 9.38911283e+00 29 -4.40265970e+00 -7.67920778e+00 5.09280646e+00 30 1.12571103e+01 1.45685356e+01 2.02678394e+00 31 1.41684713e+01 -6.57585923e+00 1.25687748e+01 32 6.83151924e+00 1.38092130e+01 1.64813070e+01 MONOATOMIC STRUCTURE (pbc=True)-- Species = Mg (Configuration in file "config-T-Mg.xyz") ----------------------------------------------------------------------------------------------------- Energy = 199.94720147435913 Forces: 1 -6.30289807e+00 -8.58188596e+00 -9.67306562e+00 2 -4.55813565e+00 8.86606437e+00 -1.37885068e+01 3 2.77137700e+00 -1.51656673e+01 -2.15501800e+00 4 -1.21262042e+01 5.33435212e+00 1.57662720e+00 5 7.47460824e+00 -1.71062193e+01 -5.32429551e+00 6 7.41608415e+00 -8.41611593e-01 -1.03881363e+01 7 6.88111061e+00 -2.02030482e+01 -1.43392285e+01 8 -8.72778843e+00 -8.50499898e+00 2.38630136e-01 9 -1.09016981e+01 -1.04306971e+01 -2.05650050e+01 10 5.45232739e-01 1.96726918e+01 -2.31662255e+01 11 -3.08660691e+00 -1.49925553e+01 3.84212690e+00 12 -1.63261795e+01 1.73911136e+01 8.90199358e+00 13 -8.60774919e+00 -9.27025268e-01 -3.19429358e+01 14 1.03391450e+01 1.51552512e+01 -9.53328692e+00 15 2.85837308e+01 -6.30073452e+00 1.40343216e+01 16 7.24727044e+00 1.86766941e+01 5.50377681e+00 17 -1.71397782e+01 -1.10277641e+01 -2.53160994e+00 18 5.56039727e+00 9.11567414e+00 1.80785939e+00 19 3.82601945e+00 -1.33575203e+01 1.02595321e+01 20 -8.79577576e+00 6.76107496e+00 1.09308951e+01 21 -8.15723437e+00 -1.51823462e+01 2.83443575e+00 22 2.08196700e+01 1.34789544e+01 1.12535284e+01 23 9.41097472e+00 -4.87455210e+00 9.56766673e+00 24 -1.19750251e+00 5.81969719e+00 1.03286413e+01 25 -1.31471904e+01 -2.61663593e+00 -2.07113572e+00 26 -4.36680203e+00 1.87726629e+01 -4.86930294e+00 27 5.31814279e+00 -2.01237839e+01 1.37089325e+01 28 -2.06066612e+01 1.70701338e+01 9.38911283e+00 29 -4.40265970e+00 -7.67920778e+00 5.09280646e+00 30 1.12571103e+01 1.45685356e+01 2.02678394e+00 31 1.41684713e+01 -6.57585923e+00 1.25687748e+01 32 6.83151924e+00 1.38092130e+01 1.64813070e+01 MONOATOMIC STRUCTURE (pbc=False)-- Species = Zn (Configuration in file "config-F-Zn.xyz") ----------------------------------------------------------------------------------------------------- Energy = 185.36653249033873 Forces: 1 -5.46242585e+00 -4.79922653e+00 -7.12325944e+00 2 1.65151281e+01 -2.78282135e+01 -2.79159688e+01 3 8.92008988e+00 -1.01067255e+01 -2.89230566e+01 4 -2.68403681e+01 -1.65336591e+01 3.72069951e-01 5 -2.00601360e+01 -1.68558704e+01 -3.06393422e+01 6 1.42836160e+01 2.84492762e+00 -2.23712769e+01 7 2.37688453e+01 -1.58951948e+01 2.64686225e+01 8 9.68235834e+00 1.12395019e+01 6.10024180e+00 9 -4.02406640e+01 2.60960752e+01 -2.28077447e+01 10 -4.03719205e+01 5.36203888e+01 -8.18939693e+00 11 2.44948622e-01 -1.17541563e+01 -1.33238673e+01 12 -1.86171347e+01 2.87977514e+01 -1.79307014e+01 13 4.70361660e+01 -2.99592452e+01 -2.40697163e+01 14 5.59178944e+00 1.01283079e+01 -6.45319462e+00 15 9.21348190e+00 1.58166925e+01 -1.05969934e+00 16 5.11180331e+01 3.83071859e+01 -5.27705190e+01 17 -3.24047966e+01 -1.95461016e+01 2.32295314e+01 18 2.94956140e+01 -3.68061279e+01 1.64949411e+01 19 -1.79308227e+01 -6.41701041e+00 3.65479312e+01 20 -6.48879665e+00 8.95776468e-02 7.46361117e+00 21 3.26604855e+01 -4.99719632e+00 -1.46942060e+01 22 1.63281205e+01 -1.26893324e+01 9.45550586e+00 23 1.85391630e+00 -2.33953585e+00 9.11846406e-01 24 -7.48111331e+00 -4.34258350e+00 1.39822164e+01 25 -4.28031735e+01 9.06575715e+00 2.50094361e+01 26 -5.47212855e+01 4.94924166e+01 5.10042280e+01 27 -8.09851412e+00 -1.32054895e+01 1.71561045e+01 28 -5.31295216e+00 1.17586612e+01 8.05535617e+00 29 3.31858879e+01 -4.52799754e+01 2.17819070e+01 30 7.12576243e+00 1.50269628e+01 -1.28488392e+01 31 8.91717201e+00 -7.57691462e+00 1.99794286e+01 32 1.08926883e+01 1.46483523e+01 7.10781073e+00 MONOATOMIC STRUCTURE (pbc=True)-- Species = Zn (Configuration in file "config-T-Zn.xyz") ----------------------------------------------------------------------------------------------------- Energy = 185.36653249033873 Forces: 1 -5.46242585e+00 -4.79922653e+00 -7.12325944e+00 2 1.65151281e+01 -2.78282135e+01 -2.79159688e+01 3 8.92008988e+00 -1.01067255e+01 -2.89230566e+01 4 -2.68403681e+01 -1.65336591e+01 3.72069951e-01 5 -2.00601360e+01 -1.68558704e+01 -3.06393422e+01 6 1.42836160e+01 2.84492762e+00 -2.23712769e+01 7 2.37688453e+01 -1.58951948e+01 2.64686225e+01 8 9.68235834e+00 1.12395019e+01 6.10024180e+00 9 -4.02406640e+01 2.60960752e+01 -2.28077447e+01 10 -4.03719205e+01 5.36203888e+01 -8.18939693e+00 11 2.44948622e-01 -1.17541563e+01 -1.33238673e+01 12 -1.86171347e+01 2.87977514e+01 -1.79307014e+01 13 4.70361660e+01 -2.99592452e+01 -2.40697163e+01 14 5.59178944e+00 1.01283079e+01 -6.45319462e+00 15 9.21348190e+00 1.58166925e+01 -1.05969934e+00 16 5.11180331e+01 3.83071859e+01 -5.27705190e+01 17 -3.24047966e+01 -1.95461016e+01 2.32295314e+01 18 2.94956140e+01 -3.68061279e+01 1.64949411e+01 19 -1.79308227e+01 -6.41701041e+00 3.65479312e+01 20 -6.48879665e+00 8.95776468e-02 7.46361117e+00 21 3.26604855e+01 -4.99719632e+00 -1.46942060e+01 22 1.63281205e+01 -1.26893324e+01 9.45550586e+00 23 1.85391630e+00 -2.33953585e+00 9.11846406e-01 24 -7.48111331e+00 -4.34258350e+00 1.39822164e+01 25 -4.28031735e+01 9.06575715e+00 2.50094361e+01 26 -5.47212855e+01 4.94924166e+01 5.10042280e+01 27 -8.09851412e+00 -1.32054895e+01 1.71561045e+01 28 -5.31295216e+00 1.17586612e+01 8.05535617e+00 29 3.31858879e+01 -4.52799754e+01 2.17819070e+01 30 7.12576243e+00 1.50269628e+01 -1.28488392e+01 31 8.91717201e+00 -7.57691462e+00 1.99794286e+01 32 1.08926883e+01 1.46483523e+01 7.10781073e+00 MIXED STRUCTURE (pbc=False)-- Species = Mg Zn (Configuration in file "config-F-MgZn.xyz") ----------------------------------------------------------------------------------------------------- Energy = 200.10317591098047 Forces: 1 -1.20601714e+01 -2.54591159e+01 -2.11508585e+01 2 4.67961854e+00 -5.05240205e+00 -8.18466828e+00 3 -8.38525807e+01 -2.61422418e+01 7.96800039e+01 4 -1.52394356e+01 2.23748539e+01 1.26713128e+01 5 7.56719894e+01 -1.01396692e+01 -1.01289056e+02 6 1.27203075e+01 1.21805492e+01 -2.00456594e+01 7 1.11330607e+01 -1.57151268e+01 4.48863057e+00 8 1.15655214e+01 1.80508107e+01 -4.07080313e+01 9 -1.71742329e+01 -2.05105117e+01 -1.27144160e+01 10 4.58017217e+01 2.03303598e+01 -2.58946445e+01 11 2.24936037e+00 -5.45191680e+00 9.91927705e+00 12 -3.92753495e+01 1.04247166e+01 2.87869813e+01 13 1.04167537e+01 1.67707912e-01 -1.01572189e+01 14 9.64582581e+00 4.32097343e+00 -8.70651303e+00 15 1.99405274e+01 5.43872976e+00 -1.02449077e+01 16 -5.68608186e+00 1.09165207e+01 2.79303399e-01 17 7.90472686e+00 4.74909652e+00 -8.83773475e-01 18 -4.26948477e+01 -1.87623737e+01 3.58930349e+01 19 7.19704400e-01 -1.36513409e+01 1.53354851e+01 20 -9.14490728e+00 -1.88686104e+00 1.49141745e+01 21 2.29978191e+00 -1.49675951e+01 -8.91804162e+00 22 -2.32711962e+01 2.85763929e+01 2.81725121e+00 23 1.27017252e+01 -3.44877342e+01 3.32571481e+01 24 2.74888619e+01 9.87746427e+00 -7.57192212e+00 25 -2.50428682e+00 9.35120648e-01 -4.99158444e+00 26 -1.63923843e+01 1.66392792e+01 -3.47585302e+00 27 -5.62095540e+00 -2.80533494e+00 2.41284483e+00 28 -4.04528686e+00 7.49403235e+00 9.67425131e+00 29 5.15332009e+00 9.17726591e+00 1.78048233e+01 30 6.25737971e+00 9.56118831e+00 -2.89894963e+00 31 6.19484219e+00 -2.69234538e+00 1.13858278e+01 32 4.41668759e+00 6.50950733e+00 8.51574760e+00 MIXED STRUCTURE (pbc=True)-- Species = Mg Zn (Configuration in file "config-T-MgZn.xyz") ----------------------------------------------------------------------------------------------------- Energy = 269.44338967284125 Forces: 1 -7.03974987e+00 -2.28657684e+01 -1.53128004e+01 2 1.01571958e+01 -5.30254236e+00 3.77485867e+00 3 -6.95425514e+01 1.08158235e+01 9.42563150e+01 4 -7.09912805e+00 2.22937687e+01 1.41389846e+01 5 7.85133075e+01 8.74906475e+00 -9.08401189e+01 6 7.40221659e+00 1.66048859e+01 -1.53328816e+01 7 1.25467212e+00 -7.61792763e+00 5.71848404e+00 8 1.12945000e+01 1.72889804e+01 -3.97301406e+01 9 -3.85536182e+01 -1.22488104e+01 1.51455100e+01 10 2.87819263e+01 -1.95594207e+01 -3.50431902e+01 11 2.69760437e+00 -5.40706079e+00 7.91250708e+00 12 -3.21892180e+01 6.47700692e-02 2.77444083e+01 13 1.17511786e+01 -7.67567092e-01 -3.56983586e+00 14 6.03539129e+00 -8.00251250e-01 -4.30543205e+00 15 1.40722597e+01 5.62507344e+00 -8.89079565e+00 16 -7.37329505e+00 1.62740375e+00 -2.95540518e-01 17 1.17517339e+01 8.20120223e+00 4.05555534e-01 18 -4.33819051e+01 -1.91330114e+01 3.64261352e+01 19 2.22328557e+00 -1.19274542e+01 8.56696149e+00 20 -9.29849261e+00 1.79547778e+00 8.69845751e-01 21 1.69374136e-01 -2.49067494e+00 -6.67537990e+00 22 -2.80353155e+01 2.91251941e+01 2.18647665e+00 23 1.10944255e+01 -3.41448544e+01 2.85391690e+01 24 2.86971138e+01 8.95574825e+00 -1.35434423e+01 25 4.03898180e+00 9.57441906e-02 -4.45887552e+00 26 -1.69184925e+01 1.02314877e+01 -4.13054328e+00 27 1.41475182e+01 -5.69928660e+00 -3.19429413e+01 28 1.02105428e+01 6.82259310e+00 1.01704457e+01 29 4.81676581e+00 9.06450428e+00 1.84923596e+01 30 8.02999204e+00 7.89217975e-01 -1.91504342e+00 31 -1.05974718e+01 -8.04183086e+00 5.45284080e+00 32 2.88925223e+00 -2.14447918e+00 -3.81389587e+00 ================================================================================ VALGRIND OUTPUT ================================================================================ ==399== Memcheck, a memory error detector ==399== Copyright (C) 2002-2017, and GNU GPL'd, by Julian Seward et al. ==399== Using Valgrind-3.13.0 and LibVEX; rerun with -h for copyright info ==399== Command: python runner2.py MEAM_LAMMPS_JangKimLee_2018_ZnMg__MO_474962707676_000 ==399== ==399== Conditional jump or move depends on uninitialised value(s) ==399== at 0x4FCDC2C: __wcsnlen_avx2 (strlen-avx2.S:106) ==399== by 0x4EFBCA1: wcsrtombs (wcsrtombs.c:104) ==399== by 0x4E81C40: wcstombs (wcstombs.c:34) ==399== by 0x5471CF: ??? (in /usr/bin/python3.6) ==399== by 0x6330AD: _Py_stat (in /usr/bin/python3.6) ==399== by 0x5B9C10: ??? (in /usr/bin/python3.6) ==399== by 0x5515C0: ??? (in /usr/bin/python3.6) ==399== by 0x5A9DAB: _PyObject_FastCallKeywords (in /usr/bin/python3.6) ==399== by 0x50A432: ??? (in /usr/bin/python3.6) ==399== by 0x50BEB3: _PyEval_EvalFrameDefault (in /usr/bin/python3.6) ==399== by 0x5095C7: ??? (in /usr/bin/python3.6) ==399== by 0x50A2FC: ??? (in /usr/bin/python3.6) ==399== ==399== Conditional jump or move depends on uninitialised value(s) ==399== at 0x4E654E8: internal_utf8_loop (loop.c:298) ==399== by 0x4E654E8: __gconv_transform_internal_utf8 (skeleton.c:609) ==399== by 0x4EFBCD4: wcsrtombs (wcsrtombs.c:110) ==399== by 0x4E81C40: wcstombs (wcstombs.c:34) ==399== by 0x5471CF: ??? (in /usr/bin/python3.6) ==399== by 0x6330AD: _Py_stat (in /usr/bin/python3.6) ==399== by 0x5B9C10: ??? (in /usr/bin/python3.6) ==399== by 0x5515C0: ??? (in /usr/bin/python3.6) ==399== by 0x5A9DAB: _PyObject_FastCallKeywords (in /usr/bin/python3.6) ==399== by 0x50A432: ??? (in /usr/bin/python3.6) ==399== by 0x50BEB3: _PyEval_EvalFrameDefault (in /usr/bin/python3.6) ==399== by 0x5095C7: ??? (in /usr/bin/python3.6) ==399== by 0x50A2FC: ??? (in /usr/bin/python3.6) ==399== ==399== Conditional jump or move depends on uninitialised value(s) ==399== at 0x4E654F1: internal_utf8_loop (loop.c:303) ==399== by 0x4E654F1: __gconv_transform_internal_utf8 (skeleton.c:609) ==399== by 0x4EFBCD4: wcsrtombs (wcsrtombs.c:110) ==399== by 0x4E81C40: wcstombs (wcstombs.c:34) ==399== by 0x5471CF: ??? (in /usr/bin/python3.6) ==399== by 0x6330AD: _Py_stat (in /usr/bin/python3.6) ==399== by 0x5B9C10: ??? (in /usr/bin/python3.6) ==399== by 0x5515C0: ??? (in /usr/bin/python3.6) ==399== by 0x5A9DAB: _PyObject_FastCallKeywords (in /usr/bin/python3.6) ==399== by 0x50A432: ??? (in /usr/bin/python3.6) ==399== by 0x50BEB3: _PyEval_EvalFrameDefault (in /usr/bin/python3.6) ==399== by 0x5095C7: ??? (in /usr/bin/python3.6) ==399== by 0x50A2FC: ??? (in /usr/bin/python3.6) ==399== ==399== Conditional jump or move depends on uninitialised value(s) ==399== at 0x4E65538: internal_utf8_loop (loop.c:298) ==399== by 0x4E65538: __gconv_transform_internal_utf8 (skeleton.c:609) ==399== by 0x4EFBCD4: wcsrtombs (wcsrtombs.c:110) ==399== by 0x4E81C40: wcstombs (wcstombs.c:34) ==399== by 0x5471CF: ??? (in /usr/bin/python3.6) ==399== by 0x6330AD: _Py_stat (in /usr/bin/python3.6) ==399== by 0x5B9C10: ??? (in /usr/bin/python3.6) ==399== by 0x5515C0: ??? (in /usr/bin/python3.6) ==399== by 0x5A9DAB: _PyObject_FastCallKeywords (in /usr/bin/python3.6) ==399== by 0x50A432: ??? (in /usr/bin/python3.6) ==399== by 0x50BEB3: _PyEval_EvalFrameDefault (in /usr/bin/python3.6) ==399== by 0x5095C7: ??? (in /usr/bin/python3.6) ==399== by 0x50A2FC: ??? (in /usr/bin/python3.6) ==399== ==399== Conditional jump or move depends on uninitialised value(s) ==399== at 0x4FCDDB7: __wcsnlen_avx2 (strlen-avx2.S:264) ==399== by 0x4EFBCA1: wcsrtombs (wcsrtombs.c:104) ==399== by 0x4E81C40: wcstombs (wcstombs.c:34) ==399== by 0x5471CF: ??? (in /usr/bin/python3.6) ==399== by 0x5474B0: PyUnicode_FSConverter (in /usr/bin/python3.6) ==399== by 0x4C4D46: ??? (in /usr/bin/python3.6) ==399== by 0x4F7E48: ??? (in /usr/bin/python3.6) ==399== by 0x4FB843: ??? (in /usr/bin/python3.6) ==399== by 0x4FC3D4: _PyArg_ParseStack_SizeT (in /usr/bin/python3.6) ==399== by 0x4C6448: ??? (in /usr/bin/python3.6) ==399== by 0x50A259: ??? (in /usr/bin/python3.6) ==399== by 0x50BEB3: _PyEval_EvalFrameDefault (in /usr/bin/python3.6) ==399== ==399== Mismatched free() / delete / delete [] ==399== at 0x4C3323B: operator delete(void*) (in /usr/lib/valgrind/vgpreload_memcheck-amd64-linux.so) ==399== by 0x7E57A600: 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) ==399== by 0x7E45C83F: 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) ==399== by 0x7E45ECF6: 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) ==399== by 0x7E440A01: 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) ==399== by 0x7E441E8D: 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) ==399== 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) ==399== 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) ==399== 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) ==399== 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) ==399== 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) ==399== by 0x787A191A: pybind11::cpp_function::dispatcher(_object*, _object*, _object*) (pybind11.h:767) ==399== Address 0x55b58b00 is 0 bytes inside a block of size 1,024 alloc'd ==399== at 0x4C3289F: operator new[](unsigned long) (in /usr/lib/valgrind/vgpreload_memcheck-amd64-linux.so) ==399== by 0x7E579C08: 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) ==399== by 0x7E45C83F: 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) ==399== by 0x7E45ECF6: 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) ==399== by 0x7E440A01: 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) ==399== by 0x7E441E8D: 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) ==399== 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) ==399== 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) ==399== 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) ==399== 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) ==399== 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) ==399== by 0x787A191A: pybind11::cpp_function::dispatcher(_object*, _object*, _object*) (pybind11.h:767) ==399== ==399== Mismatched free() / delete / delete [] ==399== at 0x4C3323B: operator delete(void*) (in /usr/lib/valgrind/vgpreload_memcheck-amd64-linux.so) ==399== by 0x7E574848: 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) ==399== by 0x7E45C86E: 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) ==399== by 0x7E45ECF6: 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) ==399== by 0x7E440A01: 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) ==399== by 0x7E441E8D: 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) ==399== 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) ==399== 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) ==399== 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) ==399== 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) ==399== 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) ==399== by 0x787A191A: pybind11::cpp_function::dispatcher(_object*, _object*, _object*) (pybind11.h:767) ==399== Address 0x55b59d90 is 0 bytes inside a block of size 1,024 alloc'd ==399== at 0x4C3289F: operator new[](unsigned long) (in /usr/lib/valgrind/vgpreload_memcheck-amd64-linux.so) ==399== by 0x7E57464A: 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) ==399== by 0x7E45C86E: 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) ==399== by 0x7E45ECF6: 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) ==399== by 0x7E440A01: 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) ==399== by 0x7E441E8D: 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) ==399== 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) ==399== 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) ==399== 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) ==399== 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) ==399== 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) ==399== by 0x787A191A: pybind11::cpp_function::dispatcher(_object*, _object*, _object*) (pybind11.h:767) ==399== ==399== ==399== HEAP SUMMARY: ==399== in use at exit: 2,776,687 bytes in 1,540 blocks ==399== total heap usage: 93,405 allocs, 91,865 frees, 119,925,969 bytes allocated ==399== ==399== LEAK SUMMARY: ==399== definitely lost: 0 bytes in 0 blocks ==399== indirectly lost: 0 bytes in 0 blocks ==399== possibly lost: 145,616 bytes in 85 blocks ==399== still reachable: 2,631,071 bytes in 1,455 blocks ==399== suppressed: 0 bytes in 0 blocks ==399== Rerun with --leak-check=full to see details of leaked memory ==399== ==399== For counts of detected and suppressed errors, rerun with: -v ==399== Use --track-origins=yes to see where uninitialised values come from ==399== ERROR SUMMARY: 6692 errors from 7 contexts (suppressed: 12677 from 682) ================================================================================ 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.