!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!! !!!!! !!!!! 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_KavousiNovakBaskes_2019_NiTi__MO_050461957184_000 Supported species : Ni Ti random seed = 13 lattice constant (orig) = 3.000 perturbation amplitude = 0.300 number unit cells per side = 2 ----------------------------------------------------------------------------------------------------- MONOATOMIC STRUCTURE (pbc=False)-- Species = Ni (Configuration in file "config-F-Ni.xyz") ----------------------------------------------------------------------------------------------------- Energy = -23.501669988162476 Forces: 1 -6.74819518e+00 -5.64827174e+00 -8.66617692e+00 2 -4.53882859e+00 8.46754561e+00 -4.53340928e+00 3 4.52280939e+00 -6.56798733e+00 4.43746522e+00 4 -6.45175573e+00 4.82284718e+00 2.96509414e+00 5 3.45377766e+00 -1.13699187e+01 -1.82075175e+00 6 5.63960123e+00 4.57076555e+00 -4.69994495e+00 7 4.07972290e+00 -2.32980911e+01 -2.20839294e+01 8 -1.06386026e+01 -1.01833773e+01 -4.33238015e+00 9 -3.22175319e+00 -1.18197627e+01 -1.40376105e+01 10 -2.78140738e+00 1.08050341e+01 -1.39334288e+01 11 -5.32155357e+00 -6.44391225e+00 -5.68067085e-01 12 -8.75941726e+00 1.18466500e+01 1.10759121e+01 13 -8.32922696e+00 -1.09825116e+01 -3.15083671e+01 14 5.51350268e+00 7.50847749e+00 -3.55919219e+00 15 2.89769689e+01 -6.13108502e+00 6.97147518e+00 16 4.84950101e+00 2.34374714e+01 1.00352572e+01 17 -7.71394607e+00 -5.21863001e+00 -5.24401984e+00 18 3.08772620e+00 3.80827359e+00 1.32007406e+00 19 5.77847395e+00 -6.36461234e+00 6.22241147e+00 20 -3.17529646e+00 5.56016780e+00 4.92545540e+00 21 -1.28191133e+01 -6.89898449e+00 2.93310462e+00 22 1.49904807e+01 1.79995931e+01 1.86781128e+01 23 5.62216075e+00 -3.65415112e-01 8.35231632e+00 24 -1.33565253e+00 -3.15617694e+00 2.90324759e+00 25 -1.16371368e+01 -4.62260611e+00 -3.31499297e+00 26 -4.95824833e+00 1.49608934e+01 -7.03545389e+00 27 1.07918394e+01 -2.47259931e+01 1.06099944e+01 28 -2.14111404e+01 1.97834986e+01 5.17711677e+00 29 -4.33501047e+00 -5.56268062e+00 7.15159413e+00 30 5.98089308e+00 1.05644949e+01 2.64247181e+00 31 1.36420382e+01 -5.04569165e+00 8.03428746e+00 32 7.24678874e+00 1.02699953e+01 1.09023342e+01 MONOATOMIC STRUCTURE (pbc=True)-- Species = Ni (Configuration in file "config-T-Ni.xyz") ----------------------------------------------------------------------------------------------------- Energy = -23.501669988162476 Forces: 1 -6.74819518e+00 -5.64827174e+00 -8.66617692e+00 2 -4.53882859e+00 8.46754561e+00 -4.53340928e+00 3 4.52280939e+00 -6.56798733e+00 4.43746522e+00 4 -6.45175573e+00 4.82284718e+00 2.96509414e+00 5 3.45377766e+00 -1.13699187e+01 -1.82075175e+00 6 5.63960123e+00 4.57076555e+00 -4.69994495e+00 7 4.07972290e+00 -2.32980911e+01 -2.20839294e+01 8 -1.06386026e+01 -1.01833773e+01 -4.33238015e+00 9 -3.22175319e+00 -1.18197627e+01 -1.40376105e+01 10 -2.78140738e+00 1.08050341e+01 -1.39334288e+01 11 -5.32155357e+00 -6.44391225e+00 -5.68067085e-01 12 -8.75941726e+00 1.18466500e+01 1.10759121e+01 13 -8.32922696e+00 -1.09825116e+01 -3.15083671e+01 14 5.51350268e+00 7.50847749e+00 -3.55919219e+00 15 2.89769689e+01 -6.13108502e+00 6.97147518e+00 16 4.84950101e+00 2.34374714e+01 1.00352572e+01 17 -7.71394607e+00 -5.21863001e+00 -5.24401984e+00 18 3.08772620e+00 3.80827359e+00 1.32007406e+00 19 5.77847395e+00 -6.36461234e+00 6.22241147e+00 20 -3.17529646e+00 5.56016780e+00 4.92545540e+00 21 -1.28191133e+01 -6.89898449e+00 2.93310462e+00 22 1.49904807e+01 1.79995931e+01 1.86781128e+01 23 5.62216075e+00 -3.65415112e-01 8.35231632e+00 24 -1.33565253e+00 -3.15617694e+00 2.90324759e+00 25 -1.16371368e+01 -4.62260611e+00 -3.31499297e+00 26 -4.95824833e+00 1.49608934e+01 -7.03545389e+00 27 1.07918394e+01 -2.47259931e+01 1.06099944e+01 28 -2.14111404e+01 1.97834986e+01 5.17711677e+00 29 -4.33501047e+00 -5.56268062e+00 7.15159413e+00 30 5.98089308e+00 1.05644949e+01 2.64247181e+00 31 1.36420382e+01 -5.04569165e+00 8.03428746e+00 32 7.24678874e+00 1.02699953e+01 1.09023342e+01 MONOATOMIC STRUCTURE (pbc=False)-- Species = Ti (Configuration in file "config-F-Ti.xyz") ----------------------------------------------------------------------------------------------------- Energy = 92.99689505603953 Forces: 1 -7.16463136e+00 -1.29134450e+01 -1.15431321e+01 2 -9.34383557e+00 7.55566476e+00 -2.26924157e+01 3 -8.91705591e+00 -2.17118469e+01 1.20770149e+01 4 -1.14793842e+01 5.18020236e+00 1.10611498e+01 5 4.24773594e+00 -1.50390851e+01 -1.72400071e+01 6 1.31805140e+01 7.59665120e+00 -1.10255301e+01 7 7.24657523e+00 -1.17577582e+01 5.85899317e+00 8 1.24047326e+01 1.35394931e+00 6.83428918e+00 9 -7.69973826e+00 -4.49567311e+00 -1.51444204e+01 10 4.94819031e+00 5.67417196e+00 -7.56584934e+00 11 -5.33019232e+00 1.08590270e+01 -2.03772084e+00 12 -1.27812332e+01 1.55710875e+01 -4.05186808e+00 13 -7.59584091e+00 -3.60067599e+00 -2.91370813e+01 14 1.38592236e+01 9.70412542e+00 -1.56810336e+01 15 2.39270809e+01 -1.27198736e+01 1.89872275e+01 16 -1.21250050e+01 2.56543077e+01 5.58280499e+00 17 -9.65022208e+00 -5.25125867e+00 -4.67416971e+00 18 -5.65164302e+00 -7.03176891e+00 2.53429848e+00 19 3.75060360e+00 -1.07620469e+01 1.11615811e+01 20 -1.73590387e+01 -4.22076453e+00 8.86986556e+00 21 2.41451387e+00 -1.50654764e+01 2.82291952e+00 22 1.69725735e+01 -3.72745080e+00 -9.36914262e+00 23 3.79731021e+00 -4.59914529e+00 5.62881700e+00 24 -5.32795042e-01 -1.93595612e+01 1.53397344e+01 25 -2.29184076e+01 -1.07542923e+01 8.95753904e+00 26 1.30134887e+01 2.15827379e+01 4.18086118e+00 27 -5.35591769e+00 1.32971707e+01 1.42150272e+01 28 -1.78228339e+00 3.33830649e+00 3.89087397e+00 29 5.12630135e-01 4.63954742e+00 -1.37164533e+01 30 1.23999879e+01 1.08571927e+01 -4.60864239e+00 31 1.88311791e+01 2.59892395e+00 1.89883268e+01 32 -5.81911527e+00 1.75470565e+01 1.14961430e+01 MONOATOMIC STRUCTURE (pbc=True)-- Species = Ti (Configuration in file "config-T-Ti.xyz") ----------------------------------------------------------------------------------------------------- Energy = 92.99689505603953 Forces: 1 -7.16463136e+00 -1.29134450e+01 -1.15431321e+01 2 -9.34383557e+00 7.55566476e+00 -2.26924157e+01 3 -8.91705591e+00 -2.17118469e+01 1.20770149e+01 4 -1.14793842e+01 5.18020236e+00 1.10611498e+01 5 4.24773594e+00 -1.50390851e+01 -1.72400071e+01 6 1.31805140e+01 7.59665120e+00 -1.10255301e+01 7 7.24657523e+00 -1.17577582e+01 5.85899317e+00 8 1.24047326e+01 1.35394931e+00 6.83428918e+00 9 -7.69973826e+00 -4.49567311e+00 -1.51444204e+01 10 4.94819031e+00 5.67417196e+00 -7.56584934e+00 11 -5.33019232e+00 1.08590270e+01 -2.03772084e+00 12 -1.27812332e+01 1.55710875e+01 -4.05186808e+00 13 -7.59584091e+00 -3.60067599e+00 -2.91370813e+01 14 1.38592236e+01 9.70412542e+00 -1.56810336e+01 15 2.39270809e+01 -1.27198736e+01 1.89872275e+01 16 -1.21250050e+01 2.56543077e+01 5.58280499e+00 17 -9.65022208e+00 -5.25125867e+00 -4.67416971e+00 18 -5.65164302e+00 -7.03176891e+00 2.53429848e+00 19 3.75060360e+00 -1.07620469e+01 1.11615811e+01 20 -1.73590387e+01 -4.22076453e+00 8.86986556e+00 21 2.41451387e+00 -1.50654764e+01 2.82291952e+00 22 1.69725735e+01 -3.72745080e+00 -9.36914262e+00 23 3.79731021e+00 -4.59914529e+00 5.62881700e+00 24 -5.32795042e-01 -1.93595612e+01 1.53397344e+01 25 -2.29184076e+01 -1.07542923e+01 8.95753904e+00 26 1.30134887e+01 2.15827379e+01 4.18086118e+00 27 -5.35591769e+00 1.32971707e+01 1.42150272e+01 28 -1.78228339e+00 3.33830649e+00 3.89087397e+00 29 5.12630135e-01 4.63954742e+00 -1.37164533e+01 30 1.23999879e+01 1.08571927e+01 -4.60864239e+00 31 1.88311791e+01 2.59892395e+00 1.89883268e+01 32 -5.81911527e+00 1.75470565e+01 1.14961430e+01 MIXED STRUCTURE (pbc=False)-- Species = Ni Ti (Configuration in file "config-F-NiTi.xyz") ----------------------------------------------------------------------------------------------------- Energy = 53.11281919307966 Forces: 1 -1.14203715e+01 -8.61195507e+00 -1.09315306e+01 2 -3.27746448e+00 1.05129405e+01 -2.67568199e+01 3 3.11873898e+00 -3.19050716e+01 -7.66796804e+00 4 -2.23186514e+01 1.20406646e+01 -8.71811573e+00 5 1.02190012e+01 -1.10395248e+01 -1.16494112e+01 6 7.95884845e+00 -3.24358826e+00 -6.47952021e+00 7 5.65366330e+00 -5.86478885e+00 -7.37967574e-01 8 3.06642409e+01 9.16906166e+00 5.69444813e+00 9 -1.11781723e+01 -1.63716880e+00 -9.86003508e+00 10 2.82105154e+00 4.13758684e+00 -5.69962891e+00 11 -4.74800987e+00 1.25164225e+01 -8.79550384e+00 12 -7.84647474e+00 7.48467694e+00 3.59925593e+00 13 -5.47514253e+00 6.87501324e+00 -7.87488433e+00 14 1.27469121e+01 7.89690731e+00 -1.42814938e+01 15 7.87706422e+00 -1.68966947e+01 -9.31862975e+00 16 -9.67147390e+00 8.34354926e+00 6.39501877e+00 17 -2.69662182e+01 -1.64050626e+01 1.22594345e+01 18 -3.48409419e+00 6.93257347e+00 1.54290566e+01 19 -7.82621644e-01 -9.04880353e+00 1.42352439e+01 20 -1.71871208e+01 -1.37057143e+01 1.66710727e+01 21 1.99983940e+01 -2.33572788e+01 1.80752697e+00 22 1.53605210e+01 1.23942518e+01 -2.22712389e+01 23 1.21215753e+01 -1.77694612e+01 1.16735579e+01 24 -1.72513992e+01 1.07910784e+01 2.71049267e+01 25 -1.15538545e+01 3.78335374e+00 -1.10200909e+01 26 -5.16121665e+00 1.53605486e+01 4.53587455e+00 27 1.75511708e+01 4.83962408e+00 1.04447751e+01 28 -6.88859224e+00 8.37455142e+00 5.08037982e+00 29 9.60483030e+00 2.65408133e+00 1.29478653e+01 30 4.43536803e+00 1.36762065e+01 3.51230920e+00 31 2.04045812e+00 -3.48495368e+00 6.80606351e+00 32 3.03903970e+00 5.18697407e+00 3.86602915e+00 MIXED STRUCTURE (pbc=True)-- Species = Ni Ti (Configuration in file "config-T-NiTi.xyz") ----------------------------------------------------------------------------------------------------- Energy = 60.964791785726746 Forces: 1 -8.73952967e+00 -2.28378966e+00 -8.58264160e+00 2 -1.67154455e-01 3.77213525e+00 -1.53230357e+01 3 4.96070832e+00 -1.71122319e+01 -3.01431162e+00 4 -1.77857776e+01 1.45024321e+01 -6.59768012e+00 5 1.13057215e+01 1.61548119e+00 -5.60091531e+00 6 4.32452888e+00 -2.53404222e+00 -3.32055898e+00 7 -5.30943803e+00 4.51781491e+00 3.14565536e+00 8 2.52897503e+01 7.90265244e+00 8.59104888e+00 9 -5.80686095e+00 -1.03267622e+00 -1.64631794e+00 10 8.53100334e-01 -1.10252672e+01 -2.44080559e+00 11 -4.11293997e+00 1.14401419e+01 -8.92897917e+00 12 -1.48667475e+00 -7.96984252e+00 -1.96261293e+00 13 -2.22133622e+00 6.26005771e+00 -2.34392613e+00 14 1.00070424e+01 -6.88106458e-01 -1.30753241e+01 15 -3.44546025e-01 -1.37583770e+01 -3.34985301e+00 16 -6.81658047e+00 6.94451421e-02 7.45934833e+00 17 -1.63423112e+01 -8.36818135e+00 1.64314533e+01 18 -4.15965421e+00 4.73647516e+00 1.45377076e+01 19 -4.91074316e+00 1.20595246e+00 6.12722392e+00 20 -1.29531359e+01 -7.72685670e+00 6.10797775e+00 21 1.80978639e+01 -1.46775105e+01 2.59596380e-01 22 1.04909372e+01 1.30290533e+01 -2.33145512e+01 23 8.17923565e+00 -1.70679553e+01 1.11532415e+01 24 -1.84699198e+01 1.12792449e+01 2.27499617e+01 25 -5.43452367e+00 4.41099465e+00 -1.16207247e+01 26 -4.57991790e+00 9.30722403e+00 5.24674830e+00 27 1.33752976e+01 7.90537746e+00 -3.86223822e+00 28 -4.31101226e-01 8.23060759e+00 1.95591960e-01 29 1.23612723e+01 -7.15699238e-01 6.91197238e+00 30 -2.97166125e+00 9.44932597e+00 4.77669617e+00 31 -5.64888992e+00 -7.15357521e+00 4.64768577e+00 32 9.44723808e+00 -7.52030457e+00 -3.35743303e+00 ================================================================================ VALGRIND OUTPUT ================================================================================ ==14593== Memcheck, a memory error detector ==14593== Copyright (C) 2002-2017, and GNU GPL'd, by Julian Seward et al. ==14593== Using Valgrind-3.13.0 and LibVEX; rerun with -h for copyright info ==14593== Command: python runner2.py MEAM_LAMMPS_KavousiNovakBaskes_2019_NiTi__MO_050461957184_000 ==14593== ==14593== Conditional jump or move depends on uninitialised value(s) ==14593== at 0x4FCDDB7: __wcsnlen_avx2 (strlen-avx2.S:264) ==14593== by 0x4EFBCA1: wcsrtombs (wcsrtombs.c:104) ==14593== by 0x4E81C40: wcstombs (wcstombs.c:34) ==14593== by 0x5471CF: ??? (in /usr/bin/python3.6) ==14593== by 0x6330AD: _Py_stat (in /usr/bin/python3.6) ==14593== by 0x5B9C10: ??? (in /usr/bin/python3.6) ==14593== by 0x5515C0: ??? (in /usr/bin/python3.6) ==14593== by 0x5A9DAB: _PyObject_FastCallKeywords (in /usr/bin/python3.6) ==14593== by 0x50A432: ??? (in /usr/bin/python3.6) ==14593== by 0x50BEB3: _PyEval_EvalFrameDefault (in /usr/bin/python3.6) ==14593== by 0x5095C7: ??? (in /usr/bin/python3.6) ==14593== by 0x50A2FC: ??? (in /usr/bin/python3.6) ==14593== ==14593== Conditional jump or move depends on uninitialised value(s) ==14593== at 0x4E654E8: internal_utf8_loop (loop.c:298) ==14593== by 0x4E654E8: __gconv_transform_internal_utf8 (skeleton.c:609) ==14593== by 0x4EFBCD4: wcsrtombs (wcsrtombs.c:110) ==14593== by 0x4E81C40: wcstombs (wcstombs.c:34) ==14593== by 0x5471CF: ??? (in /usr/bin/python3.6) ==14593== by 0x6330AD: _Py_stat (in /usr/bin/python3.6) ==14593== by 0x5B9C10: ??? (in /usr/bin/python3.6) ==14593== by 0x5515C0: ??? (in /usr/bin/python3.6) ==14593== by 0x5A9DAB: _PyObject_FastCallKeywords (in /usr/bin/python3.6) ==14593== by 0x50A432: ??? (in /usr/bin/python3.6) ==14593== by 0x50BEB3: _PyEval_EvalFrameDefault (in /usr/bin/python3.6) ==14593== by 0x5095C7: ??? (in /usr/bin/python3.6) ==14593== by 0x50A2FC: ??? (in /usr/bin/python3.6) ==14593== ==14593== Conditional jump or move depends on uninitialised value(s) ==14593== at 0x4E654F1: internal_utf8_loop (loop.c:303) ==14593== by 0x4E654F1: __gconv_transform_internal_utf8 (skeleton.c:609) ==14593== by 0x4EFBCD4: wcsrtombs (wcsrtombs.c:110) ==14593== by 0x4E81C40: wcstombs (wcstombs.c:34) ==14593== by 0x5471CF: ??? (in /usr/bin/python3.6) ==14593== by 0x6330AD: _Py_stat (in /usr/bin/python3.6) ==14593== by 0x5B9C10: ??? (in /usr/bin/python3.6) ==14593== by 0x5515C0: ??? (in /usr/bin/python3.6) ==14593== by 0x5A9DAB: _PyObject_FastCallKeywords (in /usr/bin/python3.6) ==14593== by 0x50A432: ??? (in /usr/bin/python3.6) ==14593== by 0x50BEB3: _PyEval_EvalFrameDefault (in /usr/bin/python3.6) ==14593== by 0x5095C7: ??? (in /usr/bin/python3.6) ==14593== by 0x50A2FC: ??? (in /usr/bin/python3.6) ==14593== ==14593== Conditional jump or move depends on uninitialised value(s) ==14593== at 0x4E65538: internal_utf8_loop (loop.c:298) ==14593== by 0x4E65538: __gconv_transform_internal_utf8 (skeleton.c:609) ==14593== by 0x4EFBCD4: wcsrtombs (wcsrtombs.c:110) ==14593== by 0x4E81C40: wcstombs (wcstombs.c:34) ==14593== by 0x5471CF: ??? (in /usr/bin/python3.6) ==14593== by 0x6330AD: _Py_stat (in /usr/bin/python3.6) ==14593== by 0x5B9C10: ??? (in /usr/bin/python3.6) ==14593== by 0x5515C0: ??? (in /usr/bin/python3.6) ==14593== by 0x5A9DAB: _PyObject_FastCallKeywords (in /usr/bin/python3.6) ==14593== by 0x50A432: ??? (in /usr/bin/python3.6) ==14593== by 0x50BEB3: _PyEval_EvalFrameDefault (in /usr/bin/python3.6) ==14593== by 0x5095C7: ??? (in /usr/bin/python3.6) ==14593== by 0x50A2FC: ??? (in /usr/bin/python3.6) ==14593== ==14593== Conditional jump or move depends on uninitialised value(s) ==14593== at 0x4FCDC2C: __wcsnlen_avx2 (strlen-avx2.S:106) ==14593== by 0x4EFBCA1: wcsrtombs (wcsrtombs.c:104) ==14593== by 0x4E81C40: wcstombs (wcstombs.c:34) ==14593== by 0x5471CF: ??? (in /usr/bin/python3.6) ==14593== by 0x5474B0: PyUnicode_FSConverter (in /usr/bin/python3.6) ==14593== by 0x4CAA11: ??? (in /usr/bin/python3.6) ==14593== by 0x5515C0: ??? (in /usr/bin/python3.6) ==14593== by 0x5A9DAB: _PyObject_FastCallKeywords (in /usr/bin/python3.6) ==14593== by 0x50A432: ??? (in /usr/bin/python3.6) ==14593== by 0x50BEB3: _PyEval_EvalFrameDefault (in /usr/bin/python3.6) ==14593== by 0x5095C7: ??? (in /usr/bin/python3.6) ==14593== by 0x50A2FC: ??? (in /usr/bin/python3.6) ==14593== ==14593== Mismatched free() / delete / delete [] ==14593== at 0x4C3323B: operator delete(void*) (in /usr/lib/valgrind/vgpreload_memcheck-amd64-linux.so) ==14593== 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) ==14593== 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) ==14593== 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) ==14593== 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) ==14593== 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) ==14593== 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) ==14593== 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) ==14593== 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) ==14593== 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) ==14593== 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) ==14593== by 0x787A191A: pybind11::cpp_function::dispatcher(_object*, _object*, _object*) (pybind11.h:767) ==14593== Address 0x55a7fb40 is 0 bytes inside a block of size 1,024 alloc'd ==14593== at 0x4C3289F: operator new[](unsigned long) (in /usr/lib/valgrind/vgpreload_memcheck-amd64-linux.so) ==14593== 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) ==14593== 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) ==14593== 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) ==14593== 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) ==14593== 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) ==14593== 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) ==14593== 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) ==14593== 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) ==14593== 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) ==14593== 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) ==14593== by 0x787A191A: pybind11::cpp_function::dispatcher(_object*, _object*, _object*) (pybind11.h:767) ==14593== ==14593== Mismatched free() / delete / delete [] ==14593== at 0x4C3323B: operator delete(void*) (in /usr/lib/valgrind/vgpreload_memcheck-amd64-linux.so) ==14593== 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) ==14593== 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) ==14593== 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) ==14593== 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) ==14593== 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) ==14593== 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) ==14593== 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) ==14593== 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) ==14593== 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) ==14593== 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) ==14593== by 0x787A191A: pybind11::cpp_function::dispatcher(_object*, _object*, _object*) (pybind11.h:767) ==14593== Address 0x55a80dd0 is 0 bytes inside a block of size 1,024 alloc'd ==14593== at 0x4C3289F: operator new[](unsigned long) (in /usr/lib/valgrind/vgpreload_memcheck-amd64-linux.so) ==14593== 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) ==14593== 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) ==14593== 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) ==14593== 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) ==14593== 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) ==14593== 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) ==14593== 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) ==14593== 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) ==14593== 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) ==14593== 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) ==14593== by 0x787A191A: pybind11::cpp_function::dispatcher(_object*, _object*, _object*) (pybind11.h:767) ==14593== ==14593== ==14593== HEAP SUMMARY: ==14593== in use at exit: 2,776,687 bytes in 1,540 blocks ==14593== total heap usage: 93,405 allocs, 91,865 frees, 119,873,806 bytes allocated ==14593== ==14593== LEAK SUMMARY: ==14593== definitely lost: 0 bytes in 0 blocks ==14593== indirectly lost: 0 bytes in 0 blocks ==14593== possibly lost: 145,616 bytes in 85 blocks ==14593== still reachable: 2,631,071 bytes in 1,455 blocks ==14593== suppressed: 0 bytes in 0 blocks ==14593== Rerun with --leak-check=full to see details of leaked memory ==14593== ==14593== For counts of detected and suppressed errors, rerun with: -v ==14593== Use --track-origins=yes to see where uninitialised values come from ==14593== ERROR SUMMARY: 6692 errors from 7 contexts (suppressed: 11895 from 674) ================================================================================ 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.