!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!! !!!!! !!!!! 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_SunRamachandranWick_2018_TiAl__MO_022920256108_000 Supported species : Al Ti random seed = 13 lattice constant (orig) = 3.000 perturbation amplitude = 0.300 number unit cells per side = 2 ----------------------------------------------------------------------------------------------------- MONOATOMIC STRUCTURE (pbc=False)-- Species = Al (Configuration in file "config-F-Al.xyz") ----------------------------------------------------------------------------------------------------- Energy = 65.56260305798843 Forces: 1 -3.85350593e+00 -5.59950136e+00 -6.61105418e+00 2 -6.50214059e+00 1.12513394e+01 -9.89927218e+00 3 4.24810318e+00 -1.09785462e+01 -2.20508617e+00 4 -7.46027133e+00 6.72520223e+00 2.15354572e+00 5 5.59988692e+00 -1.68817926e+01 -2.27027283e+00 6 5.58777523e+00 1.07589874e+00 -5.86689927e+00 7 2.89074695e+00 -1.43061325e+01 -1.15772653e+01 8 -6.69400124e+00 -7.94137745e+00 -1.08593373e+00 9 -8.14536599e+00 -9.41397179e+00 -1.08693033e+01 10 6.01345410e+00 1.53076789e+01 -1.04718030e+01 11 -2.87007333e+00 -1.20144008e+01 -3.48081855e+00 12 -1.32152488e+01 8.47430906e+00 5.56238058e+00 13 -1.96768569e+00 -5.87979909e+00 -2.55347226e+01 14 5.26409357e+00 4.71417375e+00 -5.46263944e+00 15 2.30507300e+01 -1.73833333e+00 2.00099944e+00 16 -4.66603172e+00 2.31525764e+01 4.42828329e+00 17 -1.21897826e+01 -8.01733543e+00 -2.35214739e+00 18 5.19775032e+00 7.04325295e+00 1.45766416e-01 19 4.16048562e+00 -1.02678249e+01 8.45787832e+00 20 -7.56513745e+00 5.88743283e+00 8.01870671e+00 21 -1.13212786e+01 -1.08347351e+01 4.24002013e+00 22 1.95344351e+01 1.49350774e+01 9.36145483e+00 23 4.29343705e+00 -3.30994840e+00 6.01426369e+00 24 2.22693250e+00 3.22682538e+00 5.15075897e+00 25 -1.57199993e+01 -7.96443559e+00 -4.47362906e+00 26 5.75940786e+00 1.92516709e+01 -3.48224388e+00 27 9.49284132e+00 -2.11451616e+01 1.14067686e+01 28 -2.10519843e+01 1.76477603e+01 1.16427821e+01 29 -2.68110544e+00 -7.40259828e+00 7.17995979e+00 30 1.13011133e+01 9.05536693e+00 5.37014214e-01 31 8.62149307e+00 -4.73181365e+00 7.52505919e+00 32 2.66092612e+00 1.06791428e+01 1.18174489e+01 MONOATOMIC STRUCTURE (pbc=True)-- Species = Al (Configuration in file "config-T-Al.xyz") ----------------------------------------------------------------------------------------------------- Energy = 65.56260305798843 Forces: 1 -3.85350593e+00 -5.59950136e+00 -6.61105418e+00 2 -6.50214059e+00 1.12513394e+01 -9.89927218e+00 3 4.24810318e+00 -1.09785462e+01 -2.20508617e+00 4 -7.46027133e+00 6.72520223e+00 2.15354572e+00 5 5.59988692e+00 -1.68817926e+01 -2.27027283e+00 6 5.58777523e+00 1.07589874e+00 -5.86689927e+00 7 2.89074695e+00 -1.43061325e+01 -1.15772653e+01 8 -6.69400124e+00 -7.94137745e+00 -1.08593373e+00 9 -8.14536599e+00 -9.41397179e+00 -1.08693033e+01 10 6.01345410e+00 1.53076789e+01 -1.04718030e+01 11 -2.87007333e+00 -1.20144008e+01 -3.48081855e+00 12 -1.32152488e+01 8.47430906e+00 5.56238058e+00 13 -1.96768569e+00 -5.87979909e+00 -2.55347226e+01 14 5.26409357e+00 4.71417375e+00 -5.46263944e+00 15 2.30507300e+01 -1.73833333e+00 2.00099944e+00 16 -4.66603172e+00 2.31525764e+01 4.42828329e+00 17 -1.21897826e+01 -8.01733543e+00 -2.35214739e+00 18 5.19775032e+00 7.04325295e+00 1.45766416e-01 19 4.16048562e+00 -1.02678249e+01 8.45787832e+00 20 -7.56513745e+00 5.88743283e+00 8.01870671e+00 21 -1.13212786e+01 -1.08347351e+01 4.24002013e+00 22 1.95344351e+01 1.49350774e+01 9.36145483e+00 23 4.29343705e+00 -3.30994840e+00 6.01426369e+00 24 2.22693250e+00 3.22682538e+00 5.15075897e+00 25 -1.57199993e+01 -7.96443559e+00 -4.47362906e+00 26 5.75940786e+00 1.92516709e+01 -3.48224388e+00 27 9.49284132e+00 -2.11451616e+01 1.14067686e+01 28 -2.10519843e+01 1.76477603e+01 1.16427821e+01 29 -2.68110544e+00 -7.40259828e+00 7.17995979e+00 30 1.13011133e+01 9.05536693e+00 5.37014214e-01 31 8.62149307e+00 -4.73181365e+00 7.52505919e+00 32 2.66092612e+00 1.06791428e+01 1.18174489e+01 MONOATOMIC STRUCTURE (pbc=False)-- Species = Ti (Configuration in file "config-F-Ti.xyz") ----------------------------------------------------------------------------------------------------- Energy = 251.20463017778252 Forces: 1 -1.09287703e+01 -1.19064359e+01 -1.71360648e+01 2 -1.95067856e+01 -2.16514484e+00 -4.49449146e+01 3 1.92031180e+01 -5.05198295e+01 -6.27416480e+00 4 -4.83502299e+01 3.75813970e+01 -2.05233158e+01 5 -2.37646726e+00 -1.91455066e+01 -2.17372474e+01 6 2.50640058e+01 -9.58256771e+00 -2.76725626e+01 7 2.38428257e+01 -1.30465584e+01 -9.07501695e+00 8 2.40180288e+01 -2.77301986e+01 1.69666910e+01 9 -1.07959485e+01 -1.17716990e+01 -1.61462930e+01 10 5.17836839e+00 1.16539163e+01 -1.74383630e+01 11 -5.94202741e+01 4.47067722e+00 -2.73370462e+00 12 -1.21999362e+01 1.46788092e+01 1.52293234e+01 13 6.04332636e-01 1.60829596e+01 -5.40749672e+01 14 6.90098849e+00 9.83853768e+00 -8.93282387e+00 15 4.29936891e+01 1.10767245e+01 1.93168273e+01 16 8.69222215e+00 3.43737669e+01 -2.89035349e+01 17 -2.68025467e+01 -4.64934447e+01 1.37486044e+01 18 3.18371072e+01 4.82134365e+01 -3.57997346e+01 19 9.55033264e+00 -6.28133793e+01 6.67874967e+01 20 -4.67261631e+01 6.55335424e+00 2.94610740e+01 21 -1.33614593e+01 -2.80966090e+01 -6.02260440e-02 22 2.62677079e+01 2.21719964e+01 -1.91777902e+01 23 2.61820698e+01 -3.85185026e+01 2.54667923e+01 24 -1.97357350e+01 2.79705927e+01 2.73390206e+01 25 -1.79974771e+01 9.36991284e+00 -1.26173469e+01 26 -2.72872535e+01 3.50852913e+01 2.66524149e+01 27 2.02633678e+01 -6.40886828e+00 1.65428046e+01 28 -1.75659643e+01 2.17272280e+01 8.07791305e+00 29 2.97937199e+01 -9.31880637e+00 5.18504511e+01 30 2.61953814e+01 1.79052651e+01 4.37165950e+00 31 2.02362498e+01 -6.68019355e+00 9.07844154e+00 32 -1.37685045e+01 1.54438790e+01 1.23585569e+01 MONOATOMIC STRUCTURE (pbc=True)-- Species = Ti (Configuration in file "config-T-Ti.xyz") ----------------------------------------------------------------------------------------------------- Energy = 251.20463017778252 Forces: 1 -1.09287703e+01 -1.19064359e+01 -1.71360648e+01 2 -1.95067856e+01 -2.16514484e+00 -4.49449146e+01 3 1.92031180e+01 -5.05198295e+01 -6.27416480e+00 4 -4.83502299e+01 3.75813970e+01 -2.05233158e+01 5 -2.37646726e+00 -1.91455066e+01 -2.17372474e+01 6 2.50640058e+01 -9.58256771e+00 -2.76725626e+01 7 2.38428257e+01 -1.30465584e+01 -9.07501695e+00 8 2.40180288e+01 -2.77301986e+01 1.69666910e+01 9 -1.07959485e+01 -1.17716990e+01 -1.61462930e+01 10 5.17836839e+00 1.16539163e+01 -1.74383630e+01 11 -5.94202741e+01 4.47067722e+00 -2.73370462e+00 12 -1.21999362e+01 1.46788092e+01 1.52293234e+01 13 6.04332636e-01 1.60829596e+01 -5.40749672e+01 14 6.90098849e+00 9.83853768e+00 -8.93282387e+00 15 4.29936891e+01 1.10767245e+01 1.93168273e+01 16 8.69222215e+00 3.43737669e+01 -2.89035349e+01 17 -2.68025467e+01 -4.64934447e+01 1.37486044e+01 18 3.18371072e+01 4.82134365e+01 -3.57997346e+01 19 9.55033264e+00 -6.28133793e+01 6.67874967e+01 20 -4.67261631e+01 6.55335424e+00 2.94610740e+01 21 -1.33614593e+01 -2.80966090e+01 -6.02260440e-02 22 2.62677079e+01 2.21719964e+01 -1.91777902e+01 23 2.61820698e+01 -3.85185026e+01 2.54667923e+01 24 -1.97357350e+01 2.79705927e+01 2.73390206e+01 25 -1.79974771e+01 9.36991284e+00 -1.26173469e+01 26 -2.72872535e+01 3.50852913e+01 2.66524149e+01 27 2.02633678e+01 -6.40886828e+00 1.65428046e+01 28 -1.75659643e+01 2.17272280e+01 8.07791305e+00 29 2.97937199e+01 -9.31880637e+00 5.18504511e+01 30 2.61953814e+01 1.79052651e+01 4.37165950e+00 31 2.02362498e+01 -6.68019355e+00 9.07844154e+00 32 -1.37685045e+01 1.54438790e+01 1.23585569e+01 MIXED STRUCTURE (pbc=False)-- Species = Al Ti (Configuration in file "config-F-AlTi.xyz") ----------------------------------------------------------------------------------------------------- Energy = 156.70033989936888 Forces: 1 -1.31053694e+01 -8.82329800e+00 -6.90159703e+00 2 3.63132326e+00 1.78750819e+01 -2.43829116e+01 3 8.79950524e-01 -1.64833632e+01 1.65388980e+01 4 -7.36939670e+00 1.76021738e+00 4.14163936e+00 5 -1.74333712e+01 -3.24795562e+01 -3.28986829e+01 6 7.90099543e+00 -2.36292756e+00 -7.91983252e+00 7 3.17075887e+01 -8.40758207e+00 1.42319828e+01 8 6.82771578e+00 3.00062560e+01 5.03925100e+00 9 -1.51761832e+01 -1.69742349e+01 -9.33455222e+00 10 2.18811116e+01 1.36511377e+01 -1.46212330e+01 11 7.62893107e+00 -1.24237139e+01 1.54555216e+01 12 -3.98242264e+01 4.27960965e+01 5.55000652e+00 13 -3.45629033e+00 1.07115697e+00 -1.22863442e+01 14 1.00196293e+01 8.55453705e+00 -1.57287342e+01 15 1.39043456e+01 -1.38847985e+01 9.57042784e+00 16 -1.01832696e+01 1.86804251e+01 5.27763961e+00 17 -7.60783348e+00 -8.01559959e+00 3.81907174e+00 18 -9.55733261e+00 1.21842429e+01 -2.52607982e+01 19 -2.26188643e+01 -2.62646760e+01 4.62864453e+01 20 -3.34877043e+01 -2.15391658e+01 2.60196083e+01 21 2.28943911e+01 -4.46163456e+01 -4.06424932e+01 22 3.57909891e+00 -5.90266713e+00 -6.09138708e+00 23 2.93767559e+01 1.99743702e+00 2.09631539e+01 24 1.37490802e+00 3.49066914e+00 1.37458008e+01 25 -5.15558986e+01 -2.50303810e+01 -3.30488255e+01 26 2.48635106e+01 4.65202365e+01 -2.24441666e+01 27 3.27014229e+01 2.13553145e+01 4.58971352e+01 28 -3.73357446e+00 5.38744996e+00 4.63239823e+00 29 2.51781898e+00 6.06008359e+00 -7.57454969e-01 30 1.06591416e+01 6.45865424e+00 -6.13034723e+00 31 9.99085632e+00 1.83989207e+00 6.50483193e+00 32 -7.23018084e+00 3.51942085e+00 1.47755484e+01 MIXED STRUCTURE (pbc=True)-- Species = Al Ti (Configuration in file "config-T-AlTi.xyz") ----------------------------------------------------------------------------------------------------- Energy = 152.5014349689535 Forces: 1 -9.53140166e+00 -1.11238759e+01 -1.09528825e+01 2 6.14155202e+00 2.19735735e+01 -1.94154408e+01 3 2.30062536e-01 -2.01864371e+01 2.43494072e+01 4 -8.28807775e+00 3.77741394e+00 3.90648040e+00 5 -8.27315850e+00 -1.77757512e+01 -2.70091801e+01 6 3.93937991e+00 5.06769723e+00 -1.52383837e+00 7 3.29750329e+01 1.90638226e+00 1.72373110e+01 8 9.03281055e+00 3.03404551e+01 6.74589431e+00 9 -1.02171547e+01 -7.58779864e+00 5.75225190e+00 10 1.10799842e+01 2.25377479e+00 -1.09745186e+01 11 1.39814890e+01 -1.59928587e+01 1.51881384e+01 12 -3.10691787e+01 4.46924953e+01 4.08078483e+00 13 -6.21900004e+00 1.19870490e+00 -1.24033474e+01 14 6.25288364e+00 5.85611532e+00 -2.04139879e+01 15 5.09100856e+00 -1.70475562e+01 1.38724305e+01 16 -1.29744497e+01 7.95654669e+00 7.82219396e+00 17 -8.48778176e-02 -5.83318716e+00 5.40828467e+00 18 -1.25019126e+01 1.24460212e+01 -2.84332844e+01 19 -3.57324796e+01 -1.95683887e+01 3.98643983e+01 20 -2.56021107e+01 -3.70689295e+01 4.79614866e+00 21 1.42093437e+01 -3.38284031e+01 -5.06441373e+01 22 1.28632791e+00 -2.80894757e-01 -7.30396393e+00 23 3.14610331e+01 5.49898586e+00 2.51146502e+01 24 -3.03037996e+00 6.93940157e+00 1.20792376e+01 25 -5.53301881e+01 -3.36002312e+01 -3.63690565e+01 26 3.06995321e+01 5.01268050e+01 -2.61419487e+01 27 4.25126119e+01 2.16809790e+01 5.18059559e+01 28 -4.39395755e+00 1.17974642e+01 4.06164984e+00 29 7.58715342e+00 5.32849543e+00 -5.11257924e+00 30 1.04478190e+01 -9.57538541e+00 -1.31554788e+00 31 -2.28586022e+00 2.05215202e+00 2.88823499e+00 32 -1.39383673e+00 -1.14237658e+01 1.30402611e+01 ================================================================================ VALGRIND OUTPUT ================================================================================ ==26767== Memcheck, a memory error detector ==26767== Copyright (C) 2002-2017, and GNU GPL'd, by Julian Seward et al. ==26767== Using Valgrind-3.13.0 and LibVEX; rerun with -h for copyright info ==26767== Command: python runner2.py MEAM_LAMMPS_SunRamachandranWick_2018_TiAl__MO_022920256108_000 ==26767== ==26767== Conditional jump or move depends on uninitialised value(s) ==26767== at 0x4FCDDB7: __wcsnlen_avx2 (strlen-avx2.S:264) ==26767== by 0x4EFBCA1: wcsrtombs (wcsrtombs.c:104) ==26767== by 0x4E81C40: wcstombs (wcstombs.c:34) ==26767== by 0x5471CF: ??? (in /usr/bin/python3.6) ==26767== by 0x6330AD: _Py_stat (in /usr/bin/python3.6) ==26767== by 0x5B9C10: ??? (in /usr/bin/python3.6) ==26767== by 0x5515C0: ??? (in /usr/bin/python3.6) ==26767== by 0x5A9DAB: _PyObject_FastCallKeywords (in /usr/bin/python3.6) ==26767== by 0x50A432: ??? (in /usr/bin/python3.6) ==26767== by 0x50BEB3: _PyEval_EvalFrameDefault (in /usr/bin/python3.6) ==26767== by 0x5095C7: ??? (in /usr/bin/python3.6) ==26767== by 0x50A2FC: ??? (in /usr/bin/python3.6) ==26767== ==26767== Conditional jump or move depends on uninitialised value(s) ==26767== at 0x4E654E8: internal_utf8_loop (loop.c:298) ==26767== by 0x4E654E8: __gconv_transform_internal_utf8 (skeleton.c:609) ==26767== by 0x4EFBCD4: wcsrtombs (wcsrtombs.c:110) ==26767== by 0x4E81C40: wcstombs (wcstombs.c:34) ==26767== by 0x5471CF: ??? (in /usr/bin/python3.6) ==26767== by 0x6330AD: _Py_stat (in /usr/bin/python3.6) ==26767== by 0x5B9C10: ??? (in /usr/bin/python3.6) ==26767== by 0x5515C0: ??? (in /usr/bin/python3.6) ==26767== by 0x5A9DAB: _PyObject_FastCallKeywords (in /usr/bin/python3.6) ==26767== by 0x50A432: ??? (in /usr/bin/python3.6) ==26767== by 0x50BEB3: _PyEval_EvalFrameDefault (in /usr/bin/python3.6) ==26767== by 0x5095C7: ??? (in /usr/bin/python3.6) ==26767== by 0x50A2FC: ??? (in /usr/bin/python3.6) ==26767== ==26767== Conditional jump or move depends on uninitialised value(s) ==26767== at 0x4E654F1: internal_utf8_loop (loop.c:303) ==26767== by 0x4E654F1: __gconv_transform_internal_utf8 (skeleton.c:609) ==26767== by 0x4EFBCD4: wcsrtombs (wcsrtombs.c:110) ==26767== by 0x4E81C40: wcstombs (wcstombs.c:34) ==26767== by 0x5471CF: ??? (in /usr/bin/python3.6) ==26767== by 0x6330AD: _Py_stat (in /usr/bin/python3.6) ==26767== by 0x5B9C10: ??? (in /usr/bin/python3.6) ==26767== by 0x5515C0: ??? (in /usr/bin/python3.6) ==26767== by 0x5A9DAB: _PyObject_FastCallKeywords (in /usr/bin/python3.6) ==26767== by 0x50A432: ??? (in /usr/bin/python3.6) ==26767== by 0x50BEB3: _PyEval_EvalFrameDefault (in /usr/bin/python3.6) ==26767== by 0x5095C7: ??? (in /usr/bin/python3.6) ==26767== by 0x50A2FC: ??? (in /usr/bin/python3.6) ==26767== ==26767== Conditional jump or move depends on uninitialised value(s) ==26767== at 0x4E65538: internal_utf8_loop (loop.c:298) ==26767== by 0x4E65538: __gconv_transform_internal_utf8 (skeleton.c:609) ==26767== by 0x4EFBCD4: wcsrtombs (wcsrtombs.c:110) ==26767== by 0x4E81C40: wcstombs (wcstombs.c:34) ==26767== by 0x5471CF: ??? (in /usr/bin/python3.6) ==26767== by 0x6330AD: _Py_stat (in /usr/bin/python3.6) ==26767== by 0x5B9C10: ??? (in /usr/bin/python3.6) ==26767== by 0x5515C0: ??? (in /usr/bin/python3.6) ==26767== by 0x5A9DAB: _PyObject_FastCallKeywords (in /usr/bin/python3.6) ==26767== by 0x50A432: ??? (in /usr/bin/python3.6) ==26767== by 0x50BEB3: _PyEval_EvalFrameDefault (in /usr/bin/python3.6) ==26767== by 0x5095C7: ??? (in /usr/bin/python3.6) ==26767== by 0x50A2FC: ??? (in /usr/bin/python3.6) ==26767== ==26767== Conditional jump or move depends on uninitialised value(s) ==26767== at 0x4FCDC2C: __wcsnlen_avx2 (strlen-avx2.S:106) ==26767== by 0x4EFBCA1: wcsrtombs (wcsrtombs.c:104) ==26767== by 0x4E81C40: wcstombs (wcstombs.c:34) ==26767== by 0x5471CF: ??? (in /usr/bin/python3.6) ==26767== by 0x5474B0: PyUnicode_FSConverter (in /usr/bin/python3.6) ==26767== by 0x4CAA11: ??? (in /usr/bin/python3.6) ==26767== by 0x5515C0: ??? (in /usr/bin/python3.6) ==26767== by 0x5A9DAB: _PyObject_FastCallKeywords (in /usr/bin/python3.6) ==26767== by 0x50A432: ??? (in /usr/bin/python3.6) ==26767== by 0x50BEB3: _PyEval_EvalFrameDefault (in /usr/bin/python3.6) ==26767== by 0x5095C7: ??? (in /usr/bin/python3.6) ==26767== by 0x50A2FC: ??? (in /usr/bin/python3.6) ==26767== ==26767== Mismatched free() / delete / delete [] ==26767== at 0x4C3323B: operator delete(void*) (in /usr/lib/valgrind/vgpreload_memcheck-amd64-linux.so) ==26767== 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) ==26767== 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) ==26767== 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) ==26767== 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) ==26767== 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) ==26767== 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) ==26767== 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) ==26767== 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) ==26767== 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) ==26767== 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) ==26767== by 0x787A191A: pybind11::cpp_function::dispatcher(_object*, _object*, _object*) (pybind11.h:767) ==26767== Address 0x559f14d0 is 0 bytes inside a block of size 1,024 alloc'd ==26767== at 0x4C3289F: operator new[](unsigned long) (in /usr/lib/valgrind/vgpreload_memcheck-amd64-linux.so) ==26767== 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) ==26767== 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) ==26767== 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) ==26767== 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) ==26767== 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) ==26767== 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) ==26767== 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) ==26767== 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) ==26767== 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) ==26767== 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) ==26767== by 0x787A191A: pybind11::cpp_function::dispatcher(_object*, _object*, _object*) (pybind11.h:767) ==26767== ==26767== Mismatched free() / delete / delete [] ==26767== at 0x4C3323B: operator delete(void*) (in /usr/lib/valgrind/vgpreload_memcheck-amd64-linux.so) ==26767== 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) ==26767== 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) ==26767== 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) ==26767== 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) ==26767== 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) ==26767== 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) ==26767== 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) ==26767== 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) ==26767== 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) ==26767== 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) ==26767== by 0x787A191A: pybind11::cpp_function::dispatcher(_object*, _object*, _object*) (pybind11.h:767) ==26767== Address 0x559f2760 is 0 bytes inside a block of size 1,024 alloc'd ==26767== at 0x4C3289F: operator new[](unsigned long) (in /usr/lib/valgrind/vgpreload_memcheck-amd64-linux.so) ==26767== 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) ==26767== 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) ==26767== 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) ==26767== 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) ==26767== 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) ==26767== 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) ==26767== 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) ==26767== 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) ==26767== 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) ==26767== 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) ==26767== by 0x787A191A: pybind11::cpp_function::dispatcher(_object*, _object*, _object*) (pybind11.h:767) ==26767== ==26767== ==26767== HEAP SUMMARY: ==26767== in use at exit: 2,776,687 bytes in 1,540 blocks ==26767== total heap usage: 92,253 allocs, 90,713 frees, 119,675,557 bytes allocated ==26767== ==26767== LEAK SUMMARY: ==26767== definitely lost: 0 bytes in 0 blocks ==26767== indirectly lost: 0 bytes in 0 blocks ==26767== possibly lost: 145,616 bytes in 85 blocks ==26767== still reachable: 2,631,071 bytes in 1,455 blocks ==26767== suppressed: 0 bytes in 0 blocks ==26767== Rerun with --leak-check=full to see details of leaked memory ==26767== ==26767== For counts of detected and suppressed errors, rerun with: -v ==26767== Use --track-origins=yes to see where uninitialised values come from ==26767== ERROR SUMMARY: 6692 errors from 7 contexts (suppressed: 11887 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.