!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!! !!!!! !!!!! 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_KimJungLee_2015_NiAlCo__MO_876687166519_001 Supported species : Al Co Ni 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 = 81.7279473766768 Forces: 1 -4.14383670e+00 -9.14143555e+00 -9.45256633e+00 2 -4.45266034e+00 6.28396472e+00 -9.56192445e+00 3 4.38365977e+00 -1.65623398e+01 -7.07411893e+00 4 -1.04069671e+01 6.74890891e+00 3.14907809e+00 5 -1.75363377e+00 -1.53625023e+01 -3.97830414e+00 6 1.03081229e+01 5.44449439e+00 -1.06311085e+01 7 5.74578318e+00 -2.49827763e+01 -1.74281722e+01 8 -9.58145094e+00 -8.82057403e+00 -2.35460515e+00 9 -9.50698533e+00 -7.47403523e+00 -1.52537786e+01 10 -8.15833073e+00 2.22153309e+01 -2.78277057e+01 11 -6.00347638e+00 -1.83447699e+01 2.37122972e+00 12 -1.21482154e+01 1.60139301e+01 2.28443942e+00 13 -2.23420744e+00 -7.32804011e+00 -3.22320625e+01 14 7.71531855e+00 1.04174291e+01 -7.25562333e+00 15 2.95497639e+01 -6.47554889e+00 5.09154637e+00 16 1.32094638e+01 2.12288598e+01 1.27994174e+01 17 -1.50968476e+01 -8.69393634e+00 -3.78681622e+00 18 4.42846751e+00 9.48669172e+00 8.22373637e+00 19 6.80882378e+00 -9.16841549e+00 9.07237128e+00 20 -6.64260660e+00 8.15849070e+00 8.46207674e+00 21 -1.24293365e+01 -1.49762946e+01 4.34625261e+00 22 2.33064761e+01 2.15841621e+01 1.72635940e+01 23 1.21812674e+01 -7.39593568e+00 7.20676571e+00 24 -7.97780234e+00 8.13168345e+00 8.49534450e+00 25 -1.14267259e+01 -6.52042382e+00 5.71012508e+00 26 -6.55273356e+00 1.84225823e+01 -3.84545180e+00 27 9.42523344e+00 -2.96087604e+01 1.11535080e+01 28 -2.49373131e+01 2.16865495e+01 8.44888692e+00 29 -5.01348728e+00 -8.00737079e+00 5.68585712e+00 30 9.28678078e+00 1.45595262e+01 3.86335822e+00 31 1.44980669e+01 -7.39796886e+00 1.05637652e+01 32 7.61938912e+00 1.58785240e+01 1.64908851e+01 MONOATOMIC STRUCTURE (pbc=True)-- Species = Al (Configuration in file "config-T-Al.xyz") ----------------------------------------------------------------------------------------------------- Energy = 81.7279473766768 Forces: 1 -4.14383670e+00 -9.14143555e+00 -9.45256633e+00 2 -4.45266034e+00 6.28396472e+00 -9.56192445e+00 3 4.38365977e+00 -1.65623398e+01 -7.07411893e+00 4 -1.04069671e+01 6.74890891e+00 3.14907809e+00 5 -1.75363377e+00 -1.53625023e+01 -3.97830414e+00 6 1.03081229e+01 5.44449439e+00 -1.06311085e+01 7 5.74578318e+00 -2.49827763e+01 -1.74281722e+01 8 -9.58145094e+00 -8.82057403e+00 -2.35460515e+00 9 -9.50698533e+00 -7.47403523e+00 -1.52537786e+01 10 -8.15833073e+00 2.22153309e+01 -2.78277057e+01 11 -6.00347638e+00 -1.83447699e+01 2.37122972e+00 12 -1.21482154e+01 1.60139301e+01 2.28443942e+00 13 -2.23420744e+00 -7.32804011e+00 -3.22320625e+01 14 7.71531855e+00 1.04174291e+01 -7.25562333e+00 15 2.95497639e+01 -6.47554889e+00 5.09154637e+00 16 1.32094638e+01 2.12288598e+01 1.27994174e+01 17 -1.50968476e+01 -8.69393634e+00 -3.78681622e+00 18 4.42846751e+00 9.48669172e+00 8.22373637e+00 19 6.80882378e+00 -9.16841549e+00 9.07237128e+00 20 -6.64260660e+00 8.15849070e+00 8.46207674e+00 21 -1.24293365e+01 -1.49762946e+01 4.34625261e+00 22 2.33064761e+01 2.15841621e+01 1.72635940e+01 23 1.21812674e+01 -7.39593568e+00 7.20676571e+00 24 -7.97780234e+00 8.13168345e+00 8.49534450e+00 25 -1.14267259e+01 -6.52042382e+00 5.71012508e+00 26 -6.55273356e+00 1.84225823e+01 -3.84545180e+00 27 9.42523344e+00 -2.96087604e+01 1.11535080e+01 28 -2.49373131e+01 2.16865495e+01 8.44888692e+00 29 -5.01348728e+00 -8.00737079e+00 5.68585712e+00 30 9.28678078e+00 1.45595262e+01 3.86335822e+00 31 1.44980669e+01 -7.39796886e+00 1.05637652e+01 32 7.61938912e+00 1.58785240e+01 1.64908851e+01 MONOATOMIC STRUCTURE (pbc=False)-- Species = Co (Configuration in file "config-F-Co.xyz") ----------------------------------------------------------------------------------------------------- Energy = -56.42577946693114 Forces: 1 -1.17122936e+00 -1.22028565e+00 -3.44867848e+00 2 -1.29567088e+00 -4.90794014e+00 -5.94607706e+00 3 -2.61551257e-01 -4.81890257e+00 -4.79131312e+00 4 -5.26038054e+00 4.68067284e+00 -3.61408070e+00 5 -1.04612916e+00 -7.79953137e+00 -5.68931785e+00 6 5.47899021e+00 -2.19548870e+00 -2.45293487e+00 7 2.07052770e+00 -7.00690670e+00 -5.34694038e+00 8 3.14135824e-01 -1.38975557e+00 1.04678784e+01 9 -5.15986671e+00 2.46451375e+00 -1.64170274e+00 10 1.49181984e+00 1.82389727e+00 -5.37989789e+00 11 -3.39651022e+00 -1.75485346e+00 6.26933601e-01 12 -5.75486601e+00 2.43705254e+00 3.58622728e+00 13 -4.11928630e+00 4.28708378e+00 -1.38809810e+01 14 8.49165587e+00 1.34740158e+01 -1.32354400e+01 15 8.42766248e+00 -1.58777064e+01 1.06446320e+01 16 -4.92629392e+00 1.07672326e+01 1.18090287e+00 17 -2.82238837e+00 -3.91473810e+00 5.59342155e+00 18 -7.08781991e-03 -9.57268964e+00 -2.17770060e+00 19 -1.14010989e+00 2.95337246e-03 8.22639818e-01 20 -3.17073767e+00 -6.63313731e+00 8.65188655e+00 21 6.51703099e+00 -2.03764473e+00 3.88145107e+00 22 1.60533228e+00 6.49483476e+00 5.79468840e+00 23 -7.49792278e-01 -2.03011375e+00 2.34613915e+00 24 3.55509021e+00 -9.85987584e+00 7.29828984e+00 25 -9.82146853e+00 8.36210605e+00 -9.16643364e+00 26 -1.79951254e+00 6.40898978e+00 -1.99019479e+00 27 -7.70905562e+00 4.85581894e+00 1.62893586e+01 28 -4.89036564e-01 5.06950907e-01 6.75765885e-01 29 4.87193450e+00 5.76194964e-02 -1.60331012e+01 30 4.48475675e+00 1.11267396e+01 1.31287730e+00 31 1.31733360e+01 -8.67699217e-01 1.30264348e+01 32 -3.81299043e-01 4.13678768e+00 2.59526728e+00 MONOATOMIC STRUCTURE (pbc=True)-- Species = Co (Configuration in file "config-T-Co.xyz") ----------------------------------------------------------------------------------------------------- Energy = -56.42577946693114 Forces: 1 -1.17122936e+00 -1.22028565e+00 -3.44867848e+00 2 -1.29567088e+00 -4.90794014e+00 -5.94607706e+00 3 -2.61551257e-01 -4.81890257e+00 -4.79131312e+00 4 -5.26038054e+00 4.68067284e+00 -3.61408070e+00 5 -1.04612916e+00 -7.79953137e+00 -5.68931785e+00 6 5.47899021e+00 -2.19548870e+00 -2.45293487e+00 7 2.07052770e+00 -7.00690670e+00 -5.34694038e+00 8 3.14135824e-01 -1.38975557e+00 1.04678784e+01 9 -5.15986671e+00 2.46451375e+00 -1.64170274e+00 10 1.49181984e+00 1.82389727e+00 -5.37989789e+00 11 -3.39651022e+00 -1.75485346e+00 6.26933601e-01 12 -5.75486601e+00 2.43705254e+00 3.58622728e+00 13 -4.11928630e+00 4.28708378e+00 -1.38809810e+01 14 8.49165587e+00 1.34740158e+01 -1.32354400e+01 15 8.42766248e+00 -1.58777064e+01 1.06446320e+01 16 -4.92629392e+00 1.07672326e+01 1.18090287e+00 17 -2.82238837e+00 -3.91473810e+00 5.59342155e+00 18 -7.08781991e-03 -9.57268964e+00 -2.17770060e+00 19 -1.14010989e+00 2.95337246e-03 8.22639818e-01 20 -3.17073767e+00 -6.63313731e+00 8.65188655e+00 21 6.51703099e+00 -2.03764473e+00 3.88145107e+00 22 1.60533228e+00 6.49483476e+00 5.79468840e+00 23 -7.49792278e-01 -2.03011375e+00 2.34613915e+00 24 3.55509021e+00 -9.85987584e+00 7.29828984e+00 25 -9.82146853e+00 8.36210605e+00 -9.16643364e+00 26 -1.79951254e+00 6.40898978e+00 -1.99019479e+00 27 -7.70905562e+00 4.85581894e+00 1.62893586e+01 28 -4.89036564e-01 5.06950907e-01 6.75765885e-01 29 4.87193450e+00 5.76194964e-02 -1.60331012e+01 30 4.48475675e+00 1.11267396e+01 1.31287730e+00 31 1.31733360e+01 -8.67699217e-01 1.30264348e+01 32 -3.81299043e-01 4.13678768e+00 2.59526728e+00 MONOATOMIC STRUCTURE (pbc=False)-- Species = Ni (Configuration in file "config-F-Ni.xyz") ----------------------------------------------------------------------------------------------------- Energy = -13.37157241830397 Forces: 1 -2.92643308e+00 -3.15839996e+00 -5.72982741e+00 2 4.14715703e+00 -3.94639459e+00 -2.11954749e+00 3 1.97593559e+01 -7.65359545e+00 -1.69681637e+01 4 -6.88676842e+00 8.42922206e+00 -3.00968763e+00 5 -7.19037852e-01 4.18318839e-01 4.44724885e-01 6 1.20719230e+01 -1.04879423e+01 -3.99316497e+00 7 9.21619056e+00 -6.76089663e+00 -1.16388612e+01 8 -3.26493577e-01 -1.32885320e+01 -5.38330839e+00 9 -6.75830702e+00 -7.12287363e+00 -1.42754969e+01 10 -2.32013109e+00 4.81361603e+00 -7.15038484e+00 11 -2.65258000e+01 -6.84372506e+00 -1.71828229e+01 12 -5.41823674e+00 3.07294502e+01 -1.07355690e+01 13 -1.03299959e+01 1.07890459e+01 -1.02892094e+01 14 1.00639605e+00 8.96209389e+00 -9.48916129e+00 15 4.65117092e+00 -4.74822306e+00 8.43941178e+00 16 1.03526368e+01 1.51977986e+01 -6.89944326e+00 17 -3.38054614e+01 -7.02046927e+00 7.32957085e+00 18 6.59915770e+00 -1.78567494e+01 -2.78597701e+01 19 1.40541168e+01 -7.29865076e+00 1.87908777e+01 20 -1.52645827e+01 -9.59841951e+00 9.22598639e+00 21 -1.88218071e+01 -9.02589659e+00 -1.71084296e+00 22 1.23000898e+01 1.13700989e+01 4.24801483e+00 23 1.11425835e+01 -9.71509715e+00 1.07721204e+01 24 -2.44535181e+00 6.34647958e+00 5.06334886e+00 25 -6.91252166e+00 -2.82769823e+01 1.00070829e+01 26 2.91232245e+00 9.96891246e+00 7.12156133e+00 27 1.16276589e+01 3.44454510e+01 2.50842468e+01 28 -3.61876911e+00 1.06733133e+01 1.14067485e+01 29 1.88715568e+01 -3.55918261e+00 3.10219926e+01 30 2.29802190e+01 1.30342205e+00 -2.06998801e+01 31 4.39708325e+00 -7.63863395e+00 7.16978881e+00 32 -2.30099209e+01 1.05534414e+01 1.90096649e+01 MONOATOMIC STRUCTURE (pbc=True)-- Species = Ni (Configuration in file "config-T-Ni.xyz") ----------------------------------------------------------------------------------------------------- Energy = -13.37157241830397 Forces: 1 -2.92643308e+00 -3.15839996e+00 -5.72982741e+00 2 4.14715703e+00 -3.94639459e+00 -2.11954749e+00 3 1.97593559e+01 -7.65359545e+00 -1.69681637e+01 4 -6.88676842e+00 8.42922206e+00 -3.00968763e+00 5 -7.19037852e-01 4.18318839e-01 4.44724885e-01 6 1.20719230e+01 -1.04879423e+01 -3.99316497e+00 7 9.21619056e+00 -6.76089663e+00 -1.16388612e+01 8 -3.26493577e-01 -1.32885320e+01 -5.38330839e+00 9 -6.75830702e+00 -7.12287363e+00 -1.42754969e+01 10 -2.32013109e+00 4.81361603e+00 -7.15038484e+00 11 -2.65258000e+01 -6.84372506e+00 -1.71828229e+01 12 -5.41823674e+00 3.07294502e+01 -1.07355690e+01 13 -1.03299959e+01 1.07890459e+01 -1.02892094e+01 14 1.00639605e+00 8.96209389e+00 -9.48916129e+00 15 4.65117092e+00 -4.74822306e+00 8.43941178e+00 16 1.03526368e+01 1.51977986e+01 -6.89944326e+00 17 -3.38054614e+01 -7.02046927e+00 7.32957085e+00 18 6.59915770e+00 -1.78567494e+01 -2.78597701e+01 19 1.40541168e+01 -7.29865076e+00 1.87908777e+01 20 -1.52645827e+01 -9.59841951e+00 9.22598639e+00 21 -1.88218071e+01 -9.02589659e+00 -1.71084296e+00 22 1.23000898e+01 1.13700989e+01 4.24801483e+00 23 1.11425835e+01 -9.71509715e+00 1.07721204e+01 24 -2.44535181e+00 6.34647958e+00 5.06334886e+00 25 -6.91252166e+00 -2.82769823e+01 1.00070829e+01 26 2.91232245e+00 9.96891246e+00 7.12156133e+00 27 1.16276589e+01 3.44454510e+01 2.50842468e+01 28 -3.61876911e+00 1.06733133e+01 1.14067485e+01 29 1.88715568e+01 -3.55918261e+00 3.10219926e+01 30 2.29802190e+01 1.30342205e+00 -2.06998801e+01 31 4.39708325e+00 -7.63863395e+00 7.16978881e+00 32 -2.30099209e+01 1.05534414e+01 1.90096649e+01 MIXED STRUCTURE (pbc=False)-- Species = Al Co Ni (Configuration in file "config-F-AlCoNi.xyz") ----------------------------------------------------------------------------------------------------- Energy = 44.63759654918872 Forces: 1 -2.66135107e+01 -2.27057896e+01 -1.96268481e+01 2 2.15905771e+01 2.27194212e+01 -2.25892406e+01 3 3.93003639e+00 -4.14685436e+01 -1.67981135e+01 4 -2.91116174e+01 1.80880928e+01 9.09931498e+00 5 -1.91868923e+01 -1.33120267e+01 -2.46111856e+01 6 2.51483559e+01 -3.00130529e-01 -2.78683351e+01 7 3.27162425e+01 -2.09286560e+01 2.08198086e+01 8 -9.81514297e+00 4.42367736e+00 7.88768650e+00 9 -7.35292464e+00 -6.73216525e+00 -9.49823539e+00 10 4.97625588e+00 8.59360736e+00 -1.08226614e+01 11 1.07174113e+00 7.86387803e+00 -1.31676874e+01 12 -8.76200981e+00 7.80536703e+00 8.94497362e+00 13 -1.95457072e+01 1.04913140e+01 -1.49418321e+01 14 1.59024113e+01 5.31060389e+00 -1.21969206e+01 15 1.64384322e+01 8.89715428e+00 1.32641087e+01 16 -7.92475467e+00 7.55008198e+00 1.51090639e+01 17 -1.53719938e+01 -7.51087910e+00 9.32489430e+00 18 -2.53153053e+01 4.13110764e+01 3.77841387e+01 19 7.52407352e-01 -7.96200747e+00 4.20214959e+00 20 -8.09394529e+00 6.96774549e-01 3.19194892e+00 21 4.78011239e+01 -3.62609704e+01 1.88178742e+01 22 6.49088614e+00 1.35024204e+01 -1.39867453e+01 23 1.31965551e+01 -2.90100002e+01 1.18706444e+01 24 -1.43179152e+01 1.87035361e+01 6.46249244e+00 25 -9.45154425e+00 2.24306093e+00 4.27252650e+00 26 -2.47536810e+01 1.79351798e+01 -2.50212787e+01 27 -1.88591483e+00 -1.07638782e+01 1.24741308e+01 28 -8.01197790e+00 3.91778158e+00 5.26392186e+00 29 1.20235304e+01 -2.74533843e+01 -1.37155170e+01 30 1.19598711e+01 1.35656656e+01 -1.00881277e+01 31 7.01269164e+00 -1.14732754e+01 1.28510912e+01 32 1.45037194e+01 2.22630135e+01 3.32919593e+01 MIXED STRUCTURE (pbc=True)-- Species = Al Co Ni (Configuration in file "config-T-AlCoNi.xyz") ----------------------------------------------------------------------------------------------------- Energy = 65.46367416147736 Forces: 1 -2.66980086e+01 -1.23928603e+01 -1.41676658e+01 2 2.12991213e+01 1.91209631e+01 -1.66920932e+01 3 5.95766716e+00 -3.21677365e+01 -2.04460211e+01 4 -2.85079413e+01 1.79936946e+01 7.37925115e+00 5 -2.25621174e+01 -8.09559153e+00 -1.53412960e+01 6 2.69519319e+01 4.03711156e+00 -2.36525132e+01 7 3.55126957e+01 -1.21925495e+01 2.29358406e+01 8 -1.00645845e+01 5.38240430e+00 9.29520544e+00 9 -9.39228522e+00 -4.94455156e+00 6.55091696e+00 10 2.22525539e+01 -3.94185762e+00 1.95954953e+01 11 2.08227247e+00 9.96717358e+00 -1.31702735e+01 12 -7.81742058e+00 -1.58971976e+00 8.33975821e+00 13 -1.80345008e+01 1.16387391e+01 -9.40791686e+00 14 1.57216736e+01 -5.42958286e-01 -1.21560852e+01 15 1.30787233e+01 7.94747135e+00 1.31809616e+01 16 -1.09488927e+01 -4.70145588e+00 1.85366092e+01 17 -1.04481190e+01 -4.56369643e+00 9.55334917e+00 18 -2.18628307e+01 4.07267470e+01 3.87933380e+01 19 -8.86683032e-01 5.00851530e+00 -9.74525279e+00 20 -8.13376542e+00 -6.77073049e+00 -5.27769655e+00 21 4.52201882e+01 -3.25739498e+01 1.60501299e+01 22 5.24283382e-01 1.59209313e+01 -1.48035321e+01 23 1.90756158e+01 -1.28068808e+01 2.08422014e+01 24 -1.59405942e+01 1.86564790e+01 -9.51887802e+00 25 -5.66208465e+00 1.74466143e+00 2.96042158e+00 26 -2.75269605e+01 1.47408716e+01 -1.75285125e+01 27 3.99823366e+00 -1.10819412e+01 4.96291894e+00 28 -1.34368319e+01 9.35802788e-01 -2.18571744e+01 29 1.45740113e+01 -2.32480022e+01 -1.46899651e+01 30 2.67844164e+00 2.21868796e+00 -1.56119242e+01 31 1.88572140e+00 -1.16207998e+01 6.88038187e+00 32 7.11048593e+00 7.19502768e+00 2.82100211e+01 ================================================================================ VALGRIND OUTPUT ================================================================================ ==91785== Memcheck, a memory error detector ==91785== Copyright (C) 2002-2017, and GNU GPL'd, by Julian Seward et al. ==91785== Using Valgrind-3.15.0 and LibVEX; rerun with -h for copyright info ==91785== Command: python runner2.py MEAM_LAMMPS_KimJungLee_2015_NiAlCo__MO_876687166519_001 ==91785== ==92783== Warning: invalid file descriptor 255988 in syscall close() ==92783== Warning: invalid file descriptor 255989 in syscall close() ==92783== Warning: invalid file descriptor 255990 in syscall close() ==92783== Warning: invalid file descriptor 255991 in syscall close() ==92783== Use --log-fd= to select an alternative log fd. ==92783== Warning: invalid file descriptor 255992 in syscall close() ==92783== Warning: invalid file descriptor 255993 in syscall close() ==91785== Mismatched free() / delete / delete [] ==91785== at 0x483CFBF: operator delete(void*) (in /usr/lib/x86_64-linux-gnu/valgrind/vgpreload_memcheck-amd64-linux.so) ==91785== by 0x119C7539C: MEAMC::ProcessLibraryFile(_IO_FILE*, int, std::vector, std::allocator >, std::allocator, std::allocator > > > const&) (in /work/07753/dskarls/stampede2/jobs/dskarls/job-e54eb57d-8937-421a-9afa-f8db4634a69c-007-fe49f18c-e5ad-4f0e-8574-65ef57955f49/VC_561022993723_003-and-MO_876687166519_001-1653082266/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==91785== by 0x119B4854D: MEAMImplementation::ProcessParameterFiles(KIM::ModelDriverCreate*, int, _IO_FILE* const*) (in /work/07753/dskarls/stampede2/jobs/dskarls/job-e54eb57d-8937-421a-9afa-f8db4634a69c-007-fe49f18c-e5ad-4f0e-8574-65ef57955f49/VC_561022993723_003-and-MO_876687166519_001-1653082266/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==91785== by 0x119B49C83: MEAMImplementation::MEAMImplementation(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /work/07753/dskarls/stampede2/jobs/dskarls/job-e54eb57d-8937-421a-9afa-f8db4634a69c-007-fe49f18c-e5ad-4f0e-8574-65ef57955f49/VC_561022993723_003-and-MO_876687166519_001-1653082266/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==91785== by 0x119B32DE7: MEAM::MEAM(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /work/07753/dskarls/stampede2/jobs/dskarls/job-e54eb57d-8937-421a-9afa-f8db4634a69c-007-fe49f18c-e5ad-4f0e-8574-65ef57955f49/VC_561022993723_003-and-MO_876687166519_001-1653082266/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==91785== by 0x119B365CE: ModelDriverCreateRoutine (in /work/07753/dskarls/stampede2/jobs/dskarls/job-e54eb57d-8937-421a-9afa-f8db4634a69c-007-fe49f18c-e5ad-4f0e-8574-65ef57955f49/VC_561022993723_003-and-MO_876687166519_001-1653082266/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==91785== by 0x42A16F1E: 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) ==91785== by 0x42A17E18: 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) ==91785== by 0x42A1C762: 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) ==91785== by 0x429CC246: 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) ==91785== by 0x3C0484C7: void pybind11::cpp_function::initialize, std::allocator > const&)#21}, pybind11::tuple, KIM::Numbering const&, KIM::LengthUnit const&, KIM::EnergyUnit const&, KIM::ChargeUnit const&, KIM::TemperatureUnit const&, KIM::TimeUnit const&, std::__cxx11::basic_string, std::allocator > const&, pybind11::name, pybind11::scope, pybind11::sibling, char [115], pybind11::arg, char [115], char [115], char [115], char [115], char [115], char [115]>(pybind11_init_model(pybind11::module_&)::{lambda(KIM::Numbering const&, KIM::LengthUnit const&, KIM::EnergyUnit const&, KIM::ChargeUnit const&, KIM::TemperatureUnit const&, KIM::TimeUnit const&, std::__cxx11::basic_string, std::allocator > const&)#21}&&, pybind11::tuple (*)(KIM::Numbering const&, KIM::LengthUnit const&, KIM::EnergyUnit const&, KIM::ChargeUnit const&, KIM::TemperatureUnit const&, KIM::TimeUnit const&, std::__cxx11::basic_string, std::allocator > const&), pybind11::name const&, pybind11::scope const&, pybind11::sibling const&, char const (&) [115], pybind11::arg const&, char const (&) [115], char const (&) [115], char const (&) [115], char const (&) [115], char const (&) [115], char const (&) [115])::{lambda(pybind11::detail::function_call&)#3}::_FUN(pybind11::detail::function_call) (KIM_Model_bind.cpp:400) ==91785== by 0x3C05C2E3: pybind11::cpp_function::dispatcher(_object*, _object*, _object*) (pybind11.h:792) ==91785== Address 0x4b5afd10 is 0 bytes inside a block of size 1,024 alloc'd ==91785== at 0x483C583: operator new[](unsigned long) (in /usr/lib/x86_64-linux-gnu/valgrind/vgpreload_memcheck-amd64-linux.so) ==91785== by 0x119C74B21: MEAMC::ProcessLibraryFile(_IO_FILE*, int, std::vector, std::allocator >, std::allocator, std::allocator > > > const&) (in /work/07753/dskarls/stampede2/jobs/dskarls/job-e54eb57d-8937-421a-9afa-f8db4634a69c-007-fe49f18c-e5ad-4f0e-8574-65ef57955f49/VC_561022993723_003-and-MO_876687166519_001-1653082266/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==91785== by 0x119B4854D: MEAMImplementation::ProcessParameterFiles(KIM::ModelDriverCreate*, int, _IO_FILE* const*) (in /work/07753/dskarls/stampede2/jobs/dskarls/job-e54eb57d-8937-421a-9afa-f8db4634a69c-007-fe49f18c-e5ad-4f0e-8574-65ef57955f49/VC_561022993723_003-and-MO_876687166519_001-1653082266/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==91785== by 0x119B49C83: MEAMImplementation::MEAMImplementation(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /work/07753/dskarls/stampede2/jobs/dskarls/job-e54eb57d-8937-421a-9afa-f8db4634a69c-007-fe49f18c-e5ad-4f0e-8574-65ef57955f49/VC_561022993723_003-and-MO_876687166519_001-1653082266/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==91785== by 0x119B32DE7: MEAM::MEAM(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /work/07753/dskarls/stampede2/jobs/dskarls/job-e54eb57d-8937-421a-9afa-f8db4634a69c-007-fe49f18c-e5ad-4f0e-8574-65ef57955f49/VC_561022993723_003-and-MO_876687166519_001-1653082266/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==91785== by 0x119B365CE: ModelDriverCreateRoutine (in /work/07753/dskarls/stampede2/jobs/dskarls/job-e54eb57d-8937-421a-9afa-f8db4634a69c-007-fe49f18c-e5ad-4f0e-8574-65ef57955f49/VC_561022993723_003-and-MO_876687166519_001-1653082266/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==91785== by 0x42A16F1E: 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) ==91785== by 0x42A17E18: 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) ==91785== by 0x42A1C762: 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) ==91785== by 0x429CC246: 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) ==91785== by 0x3C0484C7: void pybind11::cpp_function::initialize, std::allocator > const&)#21}, pybind11::tuple, KIM::Numbering const&, KIM::LengthUnit const&, KIM::EnergyUnit const&, KIM::ChargeUnit const&, KIM::TemperatureUnit const&, KIM::TimeUnit const&, std::__cxx11::basic_string, std::allocator > const&, pybind11::name, pybind11::scope, pybind11::sibling, char [115], pybind11::arg, char [115], char [115], char [115], char [115], char [115], char [115]>(pybind11_init_model(pybind11::module_&)::{lambda(KIM::Numbering const&, KIM::LengthUnit const&, KIM::EnergyUnit const&, KIM::ChargeUnit const&, KIM::TemperatureUnit const&, KIM::TimeUnit const&, std::__cxx11::basic_string, std::allocator > const&)#21}&&, pybind11::tuple (*)(KIM::Numbering const&, KIM::LengthUnit const&, KIM::EnergyUnit const&, KIM::ChargeUnit const&, KIM::TemperatureUnit const&, KIM::TimeUnit const&, std::__cxx11::basic_string, std::allocator > const&), pybind11::name const&, pybind11::scope const&, pybind11::sibling const&, char const (&) [115], pybind11::arg const&, char const (&) [115], char const (&) [115], char const (&) [115], char const (&) [115], char const (&) [115], char const (&) [115])::{lambda(pybind11::detail::function_call&)#3}::_FUN(pybind11::detail::function_call) (KIM_Model_bind.cpp:400) ==91785== by 0x3C05C2E3: pybind11::cpp_function::dispatcher(_object*, _object*, _object*) (pybind11.h:792) ==91785== ==91785== Mismatched free() / delete / delete [] ==91785== at 0x483CFBF: operator delete(void*) (in /usr/lib/x86_64-linux-gnu/valgrind/vgpreload_memcheck-amd64-linux.so) ==91785== by 0x119C6FDCD: MEAMC::ProcessParameterFile(_IO_FILE*, int) (in /work/07753/dskarls/stampede2/jobs/dskarls/job-e54eb57d-8937-421a-9afa-f8db4634a69c-007-fe49f18c-e5ad-4f0e-8574-65ef57955f49/VC_561022993723_003-and-MO_876687166519_001-1653082266/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==91785== by 0x119B48578: MEAMImplementation::ProcessParameterFiles(KIM::ModelDriverCreate*, int, _IO_FILE* const*) (in /work/07753/dskarls/stampede2/jobs/dskarls/job-e54eb57d-8937-421a-9afa-f8db4634a69c-007-fe49f18c-e5ad-4f0e-8574-65ef57955f49/VC_561022993723_003-and-MO_876687166519_001-1653082266/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==91785== by 0x119B49C83: MEAMImplementation::MEAMImplementation(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /work/07753/dskarls/stampede2/jobs/dskarls/job-e54eb57d-8937-421a-9afa-f8db4634a69c-007-fe49f18c-e5ad-4f0e-8574-65ef57955f49/VC_561022993723_003-and-MO_876687166519_001-1653082266/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==91785== by 0x119B32DE7: MEAM::MEAM(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /work/07753/dskarls/stampede2/jobs/dskarls/job-e54eb57d-8937-421a-9afa-f8db4634a69c-007-fe49f18c-e5ad-4f0e-8574-65ef57955f49/VC_561022993723_003-and-MO_876687166519_001-1653082266/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==91785== by 0x119B365CE: ModelDriverCreateRoutine (in /work/07753/dskarls/stampede2/jobs/dskarls/job-e54eb57d-8937-421a-9afa-f8db4634a69c-007-fe49f18c-e5ad-4f0e-8574-65ef57955f49/VC_561022993723_003-and-MO_876687166519_001-1653082266/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==91785== by 0x42A16F1E: 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) ==91785== by 0x42A17E18: 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) ==91785== by 0x42A1C762: 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) ==91785== by 0x429CC246: 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) ==91785== by 0x3C0484C7: void pybind11::cpp_function::initialize, std::allocator > const&)#21}, pybind11::tuple, KIM::Numbering const&, KIM::LengthUnit const&, KIM::EnergyUnit const&, KIM::ChargeUnit const&, KIM::TemperatureUnit const&, KIM::TimeUnit const&, std::__cxx11::basic_string, std::allocator > const&, pybind11::name, pybind11::scope, pybind11::sibling, char [115], pybind11::arg, char [115], char [115], char [115], char [115], char [115], char [115]>(pybind11_init_model(pybind11::module_&)::{lambda(KIM::Numbering const&, KIM::LengthUnit const&, KIM::EnergyUnit const&, KIM::ChargeUnit const&, KIM::TemperatureUnit const&, KIM::TimeUnit const&, std::__cxx11::basic_string, std::allocator > const&)#21}&&, pybind11::tuple (*)(KIM::Numbering const&, KIM::LengthUnit const&, KIM::EnergyUnit const&, KIM::ChargeUnit const&, KIM::TemperatureUnit const&, KIM::TimeUnit const&, std::__cxx11::basic_string, std::allocator > const&), pybind11::name const&, pybind11::scope const&, pybind11::sibling const&, char const (&) [115], pybind11::arg const&, char const (&) [115], char const (&) [115], char const (&) [115], char const (&) [115], char const (&) [115], char const (&) [115])::{lambda(pybind11::detail::function_call&)#3}::_FUN(pybind11::detail::function_call) (KIM_Model_bind.cpp:400) ==91785== by 0x3C05C2E3: pybind11::cpp_function::dispatcher(_object*, _object*, _object*) (pybind11.h:792) ==91785== Address 0x4b5b1520 is 0 bytes inside a block of size 1,024 alloc'd ==91785== at 0x483C583: operator new[](unsigned long) (in /usr/lib/x86_64-linux-gnu/valgrind/vgpreload_memcheck-amd64-linux.so) ==91785== by 0x119C6FBAB: MEAMC::ProcessParameterFile(_IO_FILE*, int) (in /work/07753/dskarls/stampede2/jobs/dskarls/job-e54eb57d-8937-421a-9afa-f8db4634a69c-007-fe49f18c-e5ad-4f0e-8574-65ef57955f49/VC_561022993723_003-and-MO_876687166519_001-1653082266/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==91785== by 0x119B48578: MEAMImplementation::ProcessParameterFiles(KIM::ModelDriverCreate*, int, _IO_FILE* const*) (in /work/07753/dskarls/stampede2/jobs/dskarls/job-e54eb57d-8937-421a-9afa-f8db4634a69c-007-fe49f18c-e5ad-4f0e-8574-65ef57955f49/VC_561022993723_003-and-MO_876687166519_001-1653082266/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==91785== by 0x119B49C83: MEAMImplementation::MEAMImplementation(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /work/07753/dskarls/stampede2/jobs/dskarls/job-e54eb57d-8937-421a-9afa-f8db4634a69c-007-fe49f18c-e5ad-4f0e-8574-65ef57955f49/VC_561022993723_003-and-MO_876687166519_001-1653082266/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==91785== by 0x119B32DE7: MEAM::MEAM(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /work/07753/dskarls/stampede2/jobs/dskarls/job-e54eb57d-8937-421a-9afa-f8db4634a69c-007-fe49f18c-e5ad-4f0e-8574-65ef57955f49/VC_561022993723_003-and-MO_876687166519_001-1653082266/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==91785== by 0x119B365CE: ModelDriverCreateRoutine (in /work/07753/dskarls/stampede2/jobs/dskarls/job-e54eb57d-8937-421a-9afa-f8db4634a69c-007-fe49f18c-e5ad-4f0e-8574-65ef57955f49/VC_561022993723_003-and-MO_876687166519_001-1653082266/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==91785== by 0x42A16F1E: 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) ==91785== by 0x42A17E18: 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) ==91785== by 0x42A1C762: 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) ==91785== by 0x429CC246: 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) ==91785== by 0x3C0484C7: void pybind11::cpp_function::initialize, std::allocator > const&)#21}, pybind11::tuple, KIM::Numbering const&, KIM::LengthUnit const&, KIM::EnergyUnit const&, KIM::ChargeUnit const&, KIM::TemperatureUnit const&, KIM::TimeUnit const&, std::__cxx11::basic_string, std::allocator > const&, pybind11::name, pybind11::scope, pybind11::sibling, char [115], pybind11::arg, char [115], char [115], char [115], char [115], char [115], char [115]>(pybind11_init_model(pybind11::module_&)::{lambda(KIM::Numbering const&, KIM::LengthUnit const&, KIM::EnergyUnit const&, KIM::ChargeUnit const&, KIM::TemperatureUnit const&, KIM::TimeUnit const&, std::__cxx11::basic_string, std::allocator > const&)#21}&&, pybind11::tuple (*)(KIM::Numbering const&, KIM::LengthUnit const&, KIM::EnergyUnit const&, KIM::ChargeUnit const&, KIM::TemperatureUnit const&, KIM::TimeUnit const&, std::__cxx11::basic_string, std::allocator > const&), pybind11::name const&, pybind11::scope const&, pybind11::sibling const&, char const (&) [115], pybind11::arg const&, char const (&) [115], char const (&) [115], char const (&) [115], char const (&) [115], char const (&) [115], char const (&) [115])::{lambda(pybind11::detail::function_call&)#3}::_FUN(pybind11::detail::function_call) (KIM_Model_bind.cpp:400) ==91785== by 0x3C05C2E3: pybind11::cpp_function::dispatcher(_object*, _object*, _object*) (pybind11.h:792) ==91785== ==91785== ==91785== HEAP SUMMARY: ==91785== in use at exit: 2,203,207 bytes in 1,644 blocks ==91785== total heap usage: 117,653 allocs, 116,009 frees, 142,638,071 bytes allocated ==91785== ==91785== LEAK SUMMARY: ==91785== definitely lost: 0 bytes in 0 blocks ==91785== indirectly lost: 0 bytes in 0 blocks ==91785== possibly lost: 198,622 bytes in 101 blocks ==91785== still reachable: 2,004,553 bytes in 1,542 blocks ==91785== suppressed: 32 bytes in 1 blocks ==91785== Rerun with --leak-check=full to see details of leaked memory ==91785== ==91785== For lists of detected and suppressed errors, rerun with: -s ==91785== ERROR SUMMARY: 26 errors from 2 contexts (suppressed: 9393 from 548) ================================================================================ 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.