!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!! !!!!! !!!!! 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_KimSeolJi_2017_PtMo__MO_831380044253_000 Supported species : Mo Pt random seed = 13 lattice constant (orig) = 3.000 perturbation amplitude = 0.300 number unit cells per side = 2 ----------------------------------------------------------------------------------------------------- MONOATOMIC STRUCTURE (pbc=False)-- Species = Mo (Configuration in file "config-F-Mo.xyz") ----------------------------------------------------------------------------------------------------- Energy = 810.183246794333 Forces: 1 -2.48542510e+01 -5.34700172e+01 -6.19591250e+01 2 -4.44909960e+01 4.48523528e+01 -4.17317478e+01 3 5.90362029e+01 -6.71448858e+01 -4.98379415e+01 4 -2.38893304e+01 7.83801615e+01 3.91181322e+01 5 -4.47164632e+00 -9.05302840e+01 -1.20044898e+01 6 4.98667519e+01 1.89009918e+01 -5.09176311e+01 7 4.14374330e+01 -1.08884864e+02 -9.73971552e+01 8 -4.54979820e+01 1.22601986e+01 5.04580327e+00 9 -4.64643561e+01 -7.35417786e+01 -8.55361861e+01 10 -4.01232679e+01 1.99455299e+02 -1.87170793e+02 11 -2.21224951e+02 -2.53156242e+02 1.20750954e+02 12 -8.51010214e+01 7.80519693e+01 5.14555658e+01 13 1.59129156e+02 -1.32849247e+02 -2.43349712e+02 14 4.94276002e+01 3.94356712e+01 -4.98890775e+01 15 5.46004699e+01 -8.45499409e+01 -9.78584806e+01 16 5.20332142e+01 2.60428366e+02 1.39104040e+02 17 -1.04574597e+02 -5.29719348e+01 2.33119404e-01 18 4.04895320e+01 1.14831890e+02 -5.60286230e+01 19 2.26438747e+01 -1.07053904e+02 6.65618091e+01 20 -5.37267460e+01 3.39876052e+01 4.49904402e+01 21 -1.01675029e+02 -8.84826646e+01 5.20835499e+01 22 1.45934723e+02 1.06003318e+02 6.90044300e+01 23 2.50059618e+01 -1.98874956e+01 5.97363141e+01 24 4.11312635e+01 3.74913829e+01 4.54618917e+01 25 -3.45584063e+01 -3.94135481e+01 -2.30328936e+01 26 -6.32061458e+01 1.34478961e+02 -4.25318703e+01 27 3.44422450e+01 -1.16587360e+02 6.41782950e+01 28 -1.23369975e+02 9.27017101e+01 3.02206379e+01 29 1.39844185e+01 -1.45295692e+02 3.96982485e+01 30 1.25455662e+02 1.43896357e+02 1.04198669e+02 31 5.29680084e+01 -3.47116215e+01 4.12361235e+01 32 4.96421843e+01 7.33752464e+01 1.26167703e+02 MONOATOMIC STRUCTURE (pbc=True)-- Species = Mo (Configuration in file "config-T-Mo.xyz") ----------------------------------------------------------------------------------------------------- Energy = 810.183246794333 Forces: 1 -2.48542510e+01 -5.34700172e+01 -6.19591250e+01 2 -4.44909960e+01 4.48523528e+01 -4.17317478e+01 3 5.90362029e+01 -6.71448858e+01 -4.98379415e+01 4 -2.38893304e+01 7.83801615e+01 3.91181322e+01 5 -4.47164632e+00 -9.05302840e+01 -1.20044898e+01 6 4.98667519e+01 1.89009918e+01 -5.09176311e+01 7 4.14374330e+01 -1.08884864e+02 -9.73971552e+01 8 -4.54979820e+01 1.22601986e+01 5.04580327e+00 9 -4.64643561e+01 -7.35417786e+01 -8.55361861e+01 10 -4.01232679e+01 1.99455299e+02 -1.87170793e+02 11 -2.21224951e+02 -2.53156242e+02 1.20750954e+02 12 -8.51010214e+01 7.80519693e+01 5.14555658e+01 13 1.59129156e+02 -1.32849247e+02 -2.43349712e+02 14 4.94276002e+01 3.94356712e+01 -4.98890775e+01 15 5.46004699e+01 -8.45499409e+01 -9.78584806e+01 16 5.20332142e+01 2.60428366e+02 1.39104040e+02 17 -1.04574597e+02 -5.29719348e+01 2.33119404e-01 18 4.04895320e+01 1.14831890e+02 -5.60286230e+01 19 2.26438747e+01 -1.07053904e+02 6.65618091e+01 20 -5.37267460e+01 3.39876052e+01 4.49904402e+01 21 -1.01675029e+02 -8.84826646e+01 5.20835499e+01 22 1.45934723e+02 1.06003318e+02 6.90044300e+01 23 2.50059618e+01 -1.98874956e+01 5.97363141e+01 24 4.11312635e+01 3.74913829e+01 4.54618917e+01 25 -3.45584063e+01 -3.94135481e+01 -2.30328936e+01 26 -6.32061458e+01 1.34478961e+02 -4.25318703e+01 27 3.44422450e+01 -1.16587360e+02 6.41782950e+01 28 -1.23369975e+02 9.27017101e+01 3.02206379e+01 29 1.39844185e+01 -1.45295692e+02 3.96982485e+01 30 1.25455662e+02 1.43896357e+02 1.04198669e+02 31 5.29680084e+01 -3.47116215e+01 4.12361235e+01 32 4.96421843e+01 7.33752464e+01 1.26167703e+02 MONOATOMIC STRUCTURE (pbc=False)-- Species = Pt (Configuration in file "config-F-Pt.xyz") ----------------------------------------------------------------------------------------------------- Energy = 388.8853825274744 Forces: 1 -4.98848532e+01 -5.87427672e+00 -3.13374542e+01 2 -6.78677151e+01 -2.12213967e+01 -1.53549353e+02 3 3.96403798e+01 -5.41737755e+01 3.73161852e+01 4 -1.01840380e+02 -3.07778549e+01 4.14622713e+01 5 1.62239396e+01 -5.73316206e+01 -3.70293719e+01 6 3.45641512e+01 -3.03691260e+00 -3.58961646e+01 7 9.29983835e+00 -1.23170640e+01 5.16718997e-01 8 8.56997543e+01 -7.23224008e+01 5.95412052e+01 9 -4.46113144e+01 4.19771458e+00 -4.08884877e+01 10 -7.45265311e+01 1.46150815e+02 -3.67718489e+01 11 -2.28135526e+01 8.75022807e+01 9.09188271e+00 12 -6.72355691e+01 1.38306192e+02 -1.50514392e+02 13 7.80030031e+01 -9.46764964e+01 -4.04891378e+01 14 4.91711932e+01 2.16025240e+01 -2.28822103e+01 15 4.68548461e+01 2.84615557e+01 1.55061158e+01 16 1.65188360e+00 5.34820834e+01 2.55401937e+01 17 -6.80685857e+01 -2.09072109e+01 -6.58064871e+01 18 -3.46644896e+01 -6.94452380e+01 2.34633314e+01 19 2.56506678e+01 -3.90740620e+01 8.48757163e+01 20 -3.73030463e+01 3.62158994e+01 3.45337195e+01 21 5.20324452e+01 -3.88749316e+01 -3.50752871e+01 22 1.97700082e+01 -2.12872889e+01 -2.50412691e+01 23 1.06026757e+01 -8.59808423e+00 1.33906939e+01 24 3.36057258e+01 -4.95013970e+01 3.06613742e+01 25 -2.57541862e+01 -1.88806270e+02 8.28564557e+01 26 8.95189496e+01 9.20424805e+01 2.03678742e+00 27 -4.71121604e+01 6.21903601e+01 6.21807407e+01 28 -6.79091808e+01 2.86073447e+01 8.57591129e+01 29 7.76967942e+01 4.06829343e+01 2.32891656e+01 30 4.58552945e+01 1.13180667e+01 -3.43966675e+01 31 2.49052717e+01 2.23166163e+01 3.40106627e+01 32 -3.11552579e+01 1.51494131e+01 4.36457978e+01 MONOATOMIC STRUCTURE (pbc=True)-- Species = Pt (Configuration in file "config-T-Pt.xyz") ----------------------------------------------------------------------------------------------------- Energy = 388.8853825274744 Forces: 1 -4.98848532e+01 -5.87427672e+00 -3.13374542e+01 2 -6.78677151e+01 -2.12213967e+01 -1.53549353e+02 3 3.96403798e+01 -5.41737755e+01 3.73161852e+01 4 -1.01840380e+02 -3.07778549e+01 4.14622713e+01 5 1.62239396e+01 -5.73316206e+01 -3.70293719e+01 6 3.45641512e+01 -3.03691260e+00 -3.58961646e+01 7 9.29983835e+00 -1.23170640e+01 5.16718997e-01 8 8.56997543e+01 -7.23224008e+01 5.95412052e+01 9 -4.46113144e+01 4.19771458e+00 -4.08884877e+01 10 -7.45265311e+01 1.46150815e+02 -3.67718489e+01 11 -2.28135526e+01 8.75022807e+01 9.09188271e+00 12 -6.72355691e+01 1.38306192e+02 -1.50514392e+02 13 7.80030031e+01 -9.46764964e+01 -4.04891378e+01 14 4.91711932e+01 2.16025240e+01 -2.28822103e+01 15 4.68548461e+01 2.84615557e+01 1.55061158e+01 16 1.65188360e+00 5.34820834e+01 2.55401937e+01 17 -6.80685857e+01 -2.09072109e+01 -6.58064871e+01 18 -3.46644896e+01 -6.94452380e+01 2.34633314e+01 19 2.56506678e+01 -3.90740620e+01 8.48757163e+01 20 -3.73030463e+01 3.62158994e+01 3.45337195e+01 21 5.20324452e+01 -3.88749316e+01 -3.50752871e+01 22 1.97700082e+01 -2.12872889e+01 -2.50412691e+01 23 1.06026757e+01 -8.59808423e+00 1.33906939e+01 24 3.36057258e+01 -4.95013970e+01 3.06613742e+01 25 -2.57541862e+01 -1.88806270e+02 8.28564557e+01 26 8.95189496e+01 9.20424805e+01 2.03678742e+00 27 -4.71121604e+01 6.21903601e+01 6.21807407e+01 28 -6.79091808e+01 2.86073447e+01 8.57591129e+01 29 7.76967942e+01 4.06829343e+01 2.32891656e+01 30 4.58552945e+01 1.13180667e+01 -3.43966675e+01 31 2.49052717e+01 2.23166163e+01 3.40106627e+01 32 -3.11552579e+01 1.51494131e+01 4.36457978e+01 MIXED STRUCTURE (pbc=False)-- Species = Mo Pt (Configuration in file "config-F-MoPt.xyz") ----------------------------------------------------------------------------------------------------- Energy = 828.6826497906442 Forces: 1 -4.46600053e+01 -6.27186540e+01 -3.45066502e+01 2 -8.45300944e+01 4.30427221e+01 -9.12030079e+01 3 -8.24331500e+01 -2.36255561e+02 -1.75280500e+01 4 -1.36910948e+02 5.84248884e+01 -2.42791869e+02 5 3.26402819e+01 -5.37726484e+01 -8.85294577e+01 6 1.06448014e+02 -5.51217153e+01 -5.85575903e+00 7 9.47366697e+00 -2.36581604e+01 2.78515188e+00 8 2.70365233e+02 -3.81068294e+01 -4.37763573e+01 9 -5.66255380e+01 -6.31942204e+00 -3.71863842e+01 10 3.74922174e+01 3.23050414e+01 -5.64764538e+01 11 -1.28776267e+02 6.38131319e+01 -8.01625670e+01 12 -5.02859712e+01 3.56738431e+01 4.00410755e+01 13 -3.89979057e+01 7.68787339e+01 -4.64406077e+01 14 8.38880854e+01 3.46484957e+01 -7.22637046e+01 15 6.08226758e+01 -8.44600536e+01 -9.19614566e+01 16 -5.88394786e+01 4.83035664e+01 4.58035375e+01 17 -2.30314227e+02 -2.20903763e+02 1.17787533e+02 18 9.63318549e+01 1.69126208e+02 1.31491490e+02 19 2.61166894e+01 -8.44356776e+01 8.92897307e+01 20 -9.47687948e+01 1.44788650e+01 4.88250662e+01 21 1.19922336e+02 -4.60556638e+01 -4.51890505e+01 22 9.24267188e+01 8.95613718e+01 -1.34149539e+02 23 6.69636284e+01 -1.33884618e+02 1.09844579e+02 24 -7.91172311e+01 5.27745341e+01 1.04780089e+02 25 -8.43275401e+01 -7.62495640e+01 -2.79461114e+01 26 1.17421848e+01 1.90748714e+02 8.33874943e+01 27 7.44416016e+01 1.96300444e+01 6.86607225e+01 28 -6.10582335e+01 8.45940901e+01 7.78781615e+01 29 1.37467854e+02 1.08380896e+01 1.13891027e+02 30 2.18073950e+01 1.13371865e+02 9.15088172e+00 31 1.30169509e+01 -4.84518400e+01 5.09109914e+01 32 -2.97220043e+01 3.21799657e+01 2.14394948e+01 MIXED STRUCTURE (pbc=True)-- Species = Mo Pt (Configuration in file "config-T-MoPt.xyz") ----------------------------------------------------------------------------------------------------- Energy = 1058.3551658175518 Forces: 1 -3.70484071e+01 -6.93032966e+01 -1.08453860e+02 2 -6.90527055e+01 -8.22883820e+00 -3.86569574e+01 3 -8.49932456e+01 -1.14109570e+02 -2.96033932e-01 4 -1.14783971e+02 1.63860677e+02 -2.23148328e+02 5 7.03754359e+01 2.28727554e+01 -4.27024593e+01 6 1.72659139e+02 -1.35563083e+02 3.79324812e+01 7 -8.80524217e+01 7.68842463e+00 -1.59181953e+01 8 2.70238437e+02 -4.46536882e+01 -5.37471016e+01 9 -6.38828929e+01 5.04263634e+01 6.06675378e+00 10 1.81615000e+01 -9.38130700e+01 -5.19992339e+01 11 -1.43044150e+02 1.16607994e+02 -5.18945875e+01 12 5.81965609e+00 -9.07320832e+01 1.92987397e+01 13 -1.24254217e+02 1.86591557e+02 -1.36201118e+01 14 8.99728640e+01 -2.01476579e+00 -7.64071728e+01 15 1.94648992e+01 -1.01428530e+02 -8.92576534e+01 16 -4.04060004e+01 -4.66776915e+01 3.89549491e+01 17 -2.29449395e+02 -2.23098194e+02 1.97816411e+02 18 1.25081065e+02 2.29013145e+02 1.47662611e+02 19 1.97945202e+01 -1.02325093e+02 1.19891983e+02 20 -1.75435582e+02 -4.65153940e+01 7.77896860e+00 21 1.38947603e+02 -4.17128041e+01 -5.58431850e+01 22 1.09663710e+02 7.55249632e+01 -1.62966118e+02 23 1.20212613e+02 -1.73946680e+02 6.67692411e+01 24 -2.14746278e+02 1.15134579e+02 1.02893401e+02 25 -5.19100666e+01 -6.16106605e+01 -3.83102752e+01 26 -6.57675697e+00 1.39479170e+02 8.64476099e+01 27 2.00173043e+02 1.28611494e+02 -2.58265489e+01 28 5.55255183e+01 1.14651574e+02 7.62953962e+01 29 1.36487622e+02 1.13548431e+01 1.30059503e+02 30 -1.80641902e+01 1.14541851e+02 -1.11417056e+01 31 -4.78713615e+01 -1.08343689e+02 2.86108523e+01 32 -4.30059843e+01 -1.22822629e+01 -6.28937407e+00 ================================================================================ VALGRIND OUTPUT ================================================================================ ==11633== Memcheck, a memory error detector ==11633== Copyright (C) 2002-2017, and GNU GPL'd, by Julian Seward et al. ==11633== Using Valgrind-3.13.0 and LibVEX; rerun with -h for copyright info ==11633== Command: python runner2.py MEAM_LAMMPS_KimSeolJi_2017_PtMo__MO_831380044253_000 ==11633== ==11633== Conditional jump or move depends on uninitialised value(s) ==11633== at 0x4FCDC2C: __wcsnlen_avx2 (strlen-avx2.S:106) ==11633== by 0x4EFBCA1: wcsrtombs (wcsrtombs.c:104) ==11633== by 0x4E81C40: wcstombs (wcstombs.c:34) ==11633== by 0x5471CF: ??? (in /usr/bin/python3.6) ==11633== by 0x6330AD: _Py_stat (in /usr/bin/python3.6) ==11633== by 0x5B9C10: ??? (in /usr/bin/python3.6) ==11633== by 0x5515C0: ??? (in /usr/bin/python3.6) ==11633== by 0x5A9DAB: _PyObject_FastCallKeywords (in /usr/bin/python3.6) ==11633== by 0x50A432: ??? (in /usr/bin/python3.6) ==11633== by 0x50BEB3: _PyEval_EvalFrameDefault (in /usr/bin/python3.6) ==11633== by 0x5095C7: ??? (in /usr/bin/python3.6) ==11633== by 0x50A2FC: ??? (in /usr/bin/python3.6) ==11633== ==11633== Conditional jump or move depends on uninitialised value(s) ==11633== at 0x4E654E8: internal_utf8_loop (loop.c:298) ==11633== by 0x4E654E8: __gconv_transform_internal_utf8 (skeleton.c:609) ==11633== by 0x4EFBCD4: wcsrtombs (wcsrtombs.c:110) ==11633== by 0x4E81C40: wcstombs (wcstombs.c:34) ==11633== by 0x5471CF: ??? (in /usr/bin/python3.6) ==11633== by 0x6330AD: _Py_stat (in /usr/bin/python3.6) ==11633== by 0x5B9C10: ??? (in /usr/bin/python3.6) ==11633== by 0x5515C0: ??? (in /usr/bin/python3.6) ==11633== by 0x5A9DAB: _PyObject_FastCallKeywords (in /usr/bin/python3.6) ==11633== by 0x50A432: ??? (in /usr/bin/python3.6) ==11633== by 0x50BEB3: _PyEval_EvalFrameDefault (in /usr/bin/python3.6) ==11633== by 0x5095C7: ??? (in /usr/bin/python3.6) ==11633== by 0x50A2FC: ??? (in /usr/bin/python3.6) ==11633== ==11633== Conditional jump or move depends on uninitialised value(s) ==11633== at 0x4E654F1: internal_utf8_loop (loop.c:303) ==11633== by 0x4E654F1: __gconv_transform_internal_utf8 (skeleton.c:609) ==11633== by 0x4EFBCD4: wcsrtombs (wcsrtombs.c:110) ==11633== by 0x4E81C40: wcstombs (wcstombs.c:34) ==11633== by 0x5471CF: ??? (in /usr/bin/python3.6) ==11633== by 0x6330AD: _Py_stat (in /usr/bin/python3.6) ==11633== by 0x5B9C10: ??? (in /usr/bin/python3.6) ==11633== by 0x5515C0: ??? (in /usr/bin/python3.6) ==11633== by 0x5A9DAB: _PyObject_FastCallKeywords (in /usr/bin/python3.6) ==11633== by 0x50A432: ??? (in /usr/bin/python3.6) ==11633== by 0x50BEB3: _PyEval_EvalFrameDefault (in /usr/bin/python3.6) ==11633== by 0x5095C7: ??? (in /usr/bin/python3.6) ==11633== by 0x50A2FC: ??? (in /usr/bin/python3.6) ==11633== ==11633== Conditional jump or move depends on uninitialised value(s) ==11633== at 0x4E65538: internal_utf8_loop (loop.c:298) ==11633== by 0x4E65538: __gconv_transform_internal_utf8 (skeleton.c:609) ==11633== by 0x4EFBCD4: wcsrtombs (wcsrtombs.c:110) ==11633== by 0x4E81C40: wcstombs (wcstombs.c:34) ==11633== by 0x5471CF: ??? (in /usr/bin/python3.6) ==11633== by 0x6330AD: _Py_stat (in /usr/bin/python3.6) ==11633== by 0x5B9C10: ??? (in /usr/bin/python3.6) ==11633== by 0x5515C0: ??? (in /usr/bin/python3.6) ==11633== by 0x5A9DAB: _PyObject_FastCallKeywords (in /usr/bin/python3.6) ==11633== by 0x50A432: ??? (in /usr/bin/python3.6) ==11633== by 0x50BEB3: _PyEval_EvalFrameDefault (in /usr/bin/python3.6) ==11633== by 0x5095C7: ??? (in /usr/bin/python3.6) ==11633== by 0x50A2FC: ??? (in /usr/bin/python3.6) ==11633== ==11633== Conditional jump or move depends on uninitialised value(s) ==11633== at 0x4FCDDB7: __wcsnlen_avx2 (strlen-avx2.S:264) ==11633== by 0x4EFBCA1: wcsrtombs (wcsrtombs.c:104) ==11633== by 0x4E81C40: wcstombs (wcstombs.c:34) ==11633== by 0x5471CF: ??? (in /usr/bin/python3.6) ==11633== by 0x5474B0: PyUnicode_FSConverter (in /usr/bin/python3.6) ==11633== by 0x4C4D46: ??? (in /usr/bin/python3.6) ==11633== by 0x4F7E48: ??? (in /usr/bin/python3.6) ==11633== by 0x4FB843: ??? (in /usr/bin/python3.6) ==11633== by 0x4FC3D4: _PyArg_ParseStack_SizeT (in /usr/bin/python3.6) ==11633== by 0x4C6448: ??? (in /usr/bin/python3.6) ==11633== by 0x50A259: ??? (in /usr/bin/python3.6) ==11633== by 0x50BEB3: _PyEval_EvalFrameDefault (in /usr/bin/python3.6) ==11633== ==11633== Mismatched free() / delete / delete [] ==11633== at 0x4C3323B: operator delete(void*) (in /usr/lib/valgrind/vgpreload_memcheck-amd64-linux.so) ==11633== 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) ==11633== 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) ==11633== 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) ==11633== 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) ==11633== 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) ==11633== 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) ==11633== 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) ==11633== 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) ==11633== 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) ==11633== 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) ==11633== by 0x787A191A: pybind11::cpp_function::dispatcher(_object*, _object*, _object*) (pybind11.h:767) ==11633== Address 0x55b58b00 is 0 bytes inside a block of size 1,024 alloc'd ==11633== at 0x4C3289F: operator new[](unsigned long) (in /usr/lib/valgrind/vgpreload_memcheck-amd64-linux.so) ==11633== 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) ==11633== 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) ==11633== 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) ==11633== 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) ==11633== 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) ==11633== 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) ==11633== 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) ==11633== 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) ==11633== 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) ==11633== 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) ==11633== by 0x787A191A: pybind11::cpp_function::dispatcher(_object*, _object*, _object*) (pybind11.h:767) ==11633== ==11633== Mismatched free() / delete / delete [] ==11633== at 0x4C3323B: operator delete(void*) (in /usr/lib/valgrind/vgpreload_memcheck-amd64-linux.so) ==11633== 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) ==11633== 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) ==11633== 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) ==11633== 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) ==11633== 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) ==11633== 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) ==11633== 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) ==11633== 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) ==11633== 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) ==11633== 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) ==11633== by 0x787A191A: pybind11::cpp_function::dispatcher(_object*, _object*, _object*) (pybind11.h:767) ==11633== Address 0x55b59d90 is 0 bytes inside a block of size 1,024 alloc'd ==11633== at 0x4C3289F: operator new[](unsigned long) (in /usr/lib/valgrind/vgpreload_memcheck-amd64-linux.so) ==11633== 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) ==11633== 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) ==11633== 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) ==11633== 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) ==11633== 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) ==11633== 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) ==11633== 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) ==11633== 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) ==11633== 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) ==11633== 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) ==11633== by 0x787A191A: pybind11::cpp_function::dispatcher(_object*, _object*, _object*) (pybind11.h:767) ==11633== ==11633== ==11633== HEAP SUMMARY: ==11633== in use at exit: 2,776,687 bytes in 1,540 blocks ==11633== total heap usage: 92,301 allocs, 90,761 frees, 119,688,530 bytes allocated ==11633== ==11633== LEAK SUMMARY: ==11633== definitely lost: 0 bytes in 0 blocks ==11633== indirectly lost: 0 bytes in 0 blocks ==11633== possibly lost: 145,616 bytes in 85 blocks ==11633== still reachable: 2,631,071 bytes in 1,455 blocks ==11633== suppressed: 0 bytes in 0 blocks ==11633== Rerun with --leak-check=full to see details of leaked memory ==11633== ==11633== For counts of detected and suppressed errors, rerun with: -v ==11633== Use --track-origins=yes to see where uninitialised values come from ==11633== ERROR SUMMARY: 6692 errors from 7 contexts (suppressed: 12671 from 683) ================================================================================ 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.