!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!! !!!!! !!!!! 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_JeongParkDo_2018_PdCu__MO_353393547686_001 Supported species : Cu Pd random seed = 13 lattice constant (orig) = 3.000 perturbation amplitude = 0.300 number unit cells per side = 2 ----------------------------------------------------------------------------------------------------- MONOATOMIC STRUCTURE (pbc=False)-- Species = Cu (Configuration in file "config-F-Cu.xyz") ----------------------------------------------------------------------------------------------------- Energy = 7.489465008783676 Forces: 1 -7.64672487e-01 -7.04805194e+00 -7.91470919e+00 2 -7.17519637e+00 9.14457632e+00 -3.06775361e+00 3 5.26928164e+00 -2.66189483e+00 -1.87162792e+00 4 -4.52445074e+00 5.19227895e+00 5.40281820e+00 5 4.90766455e+00 -1.39717829e+01 -1.64898190e+00 6 4.30146245e+00 4.86743112e+00 -3.55772814e+00 7 1.09045146e+01 -2.11234281e+01 -2.42635061e+01 8 -1.90806114e+01 -4.96813819e+00 -4.29260421e+00 9 -1.05358522e+01 -5.63991870e+00 -1.29721211e+01 10 -7.29680324e+00 1.98156098e+01 -1.75188952e+01 11 -3.69534551e+00 -1.60137863e+01 1.50306357e+01 12 -7.32928069e+00 1.13090321e+01 3.10946721e+00 13 -2.52831415e+00 -1.13722560e+01 -3.46467260e+01 14 4.83568041e+00 7.40917311e+00 -5.08466275e+00 15 3.14294823e+01 -9.42793967e+00 1.04661273e+01 16 5.20587815e+00 2.15611976e+01 1.14651705e+01 17 -1.18275086e+01 -6.97734312e+00 -5.09174029e+00 18 -3.35318091e+00 1.28091851e+01 -2.22737206e+01 19 3.01982777e+00 -1.63744275e+01 1.09497462e+01 20 -6.74440160e+00 7.57427091e+00 7.87930015e+00 21 -1.96108065e+01 -1.28348308e+01 1.25866423e+01 22 2.08180455e+01 1.75147056e+01 1.35985163e+01 23 5.69001793e+00 -1.01545249e+00 6.55565627e+00 24 1.40463959e+01 3.74185615e+00 1.34524976e+01 25 -3.30782852e+00 -7.93495764e+00 -7.48911257e-01 26 -3.40246058e+00 9.30939088e+00 -9.78513872e+00 27 1.39011176e+01 -2.66479768e+01 5.50529930e+00 28 -2.83710741e+01 2.41522862e+01 1.05500600e+01 29 -7.78172864e+00 -6.79181522e+00 4.71148304e+00 30 6.21573259e+00 9.24982657e+00 3.23427001e+00 31 1.04769512e+01 -6.21671151e+00 6.37474394e+00 32 6.30746363e+00 1.33698913e+01 1.38663927e+01 MONOATOMIC STRUCTURE (pbc=True)-- Species = Cu (Configuration in file "config-T-Cu.xyz") ----------------------------------------------------------------------------------------------------- Energy = 7.489465008783676 Forces: 1 -7.64672487e-01 -7.04805194e+00 -7.91470919e+00 2 -7.17519637e+00 9.14457632e+00 -3.06775361e+00 3 5.26928164e+00 -2.66189483e+00 -1.87162792e+00 4 -4.52445074e+00 5.19227895e+00 5.40281820e+00 5 4.90766455e+00 -1.39717829e+01 -1.64898190e+00 6 4.30146245e+00 4.86743112e+00 -3.55772814e+00 7 1.09045146e+01 -2.11234281e+01 -2.42635061e+01 8 -1.90806114e+01 -4.96813819e+00 -4.29260421e+00 9 -1.05358522e+01 -5.63991870e+00 -1.29721211e+01 10 -7.29680324e+00 1.98156098e+01 -1.75188952e+01 11 -3.69534551e+00 -1.60137863e+01 1.50306357e+01 12 -7.32928069e+00 1.13090321e+01 3.10946721e+00 13 -2.52831415e+00 -1.13722560e+01 -3.46467260e+01 14 4.83568041e+00 7.40917311e+00 -5.08466275e+00 15 3.14294823e+01 -9.42793967e+00 1.04661273e+01 16 5.20587815e+00 2.15611976e+01 1.14651705e+01 17 -1.18275086e+01 -6.97734312e+00 -5.09174029e+00 18 -3.35318091e+00 1.28091851e+01 -2.22737206e+01 19 3.01982777e+00 -1.63744275e+01 1.09497462e+01 20 -6.74440160e+00 7.57427091e+00 7.87930015e+00 21 -1.96108065e+01 -1.28348308e+01 1.25866423e+01 22 2.08180455e+01 1.75147056e+01 1.35985163e+01 23 5.69001793e+00 -1.01545249e+00 6.55565627e+00 24 1.40463959e+01 3.74185615e+00 1.34524976e+01 25 -3.30782852e+00 -7.93495764e+00 -7.48911257e-01 26 -3.40246058e+00 9.30939088e+00 -9.78513872e+00 27 1.39011176e+01 -2.66479768e+01 5.50529930e+00 28 -2.83710741e+01 2.41522862e+01 1.05500600e+01 29 -7.78172864e+00 -6.79181522e+00 4.71148304e+00 30 6.21573259e+00 9.24982657e+00 3.23427001e+00 31 1.04769512e+01 -6.21671151e+00 6.37474394e+00 32 6.30746363e+00 1.33698913e+01 1.38663927e+01 MONOATOMIC STRUCTURE (pbc=False)-- Species = Pd (Configuration in file "config-F-Pd.xyz") ----------------------------------------------------------------------------------------------------- Energy = 225.47461043604756 Forces: 1 -1.12521934e+01 -7.57628721e+00 -1.12836653e+01 2 3.15522135e+01 -4.26219355e+01 -3.70239988e+01 3 -2.19862962e+01 -4.73754775e+01 -1.78720729e+01 4 -2.70159337e+01 -2.90346104e+01 6.54192582e+00 5 -3.02328061e+01 -2.53053047e+01 -4.28584078e+01 6 2.27502241e+01 1.76463849e+01 -2.11298628e+01 7 3.73585749e+01 -2.30088246e+01 2.96672822e+01 8 4.15686265e+00 2.27755622e+01 -3.78268622e+01 9 -4.22218931e+01 2.55652513e+01 -2.69576001e+01 10 -5.13737982e+01 8.32630161e+01 -2.31645709e+01 11 -1.33861854e+01 -2.12664417e+01 -1.26605494e+01 12 -3.64351437e+01 4.43261905e+01 1.64957345e+01 13 7.15442545e+01 -4.84990587e+01 -2.73293483e+01 14 6.54352540e+00 5.64250799e+00 -2.55378372e+00 15 3.94456558e+01 5.23833810e+01 -6.63696072e+01 16 6.91452390e+01 5.09405640e+01 -7.16635405e+01 17 -1.98274902e+01 -1.83412359e+01 4.11318376e+00 18 -3.15000861e+00 -3.11227648e+01 7.77995129e+00 19 -3.36025477e+01 -1.58172078e+01 5.15675519e+01 20 -1.32882033e+01 2.53806289e+00 1.34812967e+01 21 4.31160097e+01 -3.70747348e+01 -8.55627437e+00 22 2.85878079e+01 -3.75422564e+01 5.91682950e+01 23 5.34277949e+00 -5.88072552e+00 4.93460245e+00 24 1.37994080e+01 4.40861005e+00 2.33609054e+01 25 -5.78064025e+01 1.53710018e+01 1.61480665e+01 26 -3.94153651e+01 2.39271351e+01 6.63179278e+01 27 -1.19360172e+01 -7.50594702e-03 3.16736720e+01 28 -1.22539351e+01 1.80083054e+01 8.68985195e+00 29 2.68874321e+01 1.86333368e+00 5.20722118e+01 30 1.10126038e+01 2.42736746e+01 -2.45748696e+01 31 1.68189344e+01 -2.67908422e+01 3.24159083e+01 32 -2.87730561e+00 2.43322322e+01 7.39664636e+00 MONOATOMIC STRUCTURE (pbc=True)-- Species = Pd (Configuration in file "config-T-Pd.xyz") ----------------------------------------------------------------------------------------------------- Energy = 225.47461043604756 Forces: 1 -1.12521934e+01 -7.57628721e+00 -1.12836653e+01 2 3.15522135e+01 -4.26219355e+01 -3.70239988e+01 3 -2.19862962e+01 -4.73754775e+01 -1.78720729e+01 4 -2.70159337e+01 -2.90346104e+01 6.54192582e+00 5 -3.02328061e+01 -2.53053047e+01 -4.28584078e+01 6 2.27502241e+01 1.76463849e+01 -2.11298628e+01 7 3.73585749e+01 -2.30088246e+01 2.96672822e+01 8 4.15686265e+00 2.27755622e+01 -3.78268622e+01 9 -4.22218931e+01 2.55652513e+01 -2.69576001e+01 10 -5.13737982e+01 8.32630161e+01 -2.31645709e+01 11 -1.33861854e+01 -2.12664417e+01 -1.26605494e+01 12 -3.64351437e+01 4.43261905e+01 1.64957345e+01 13 7.15442545e+01 -4.84990587e+01 -2.73293483e+01 14 6.54352540e+00 5.64250799e+00 -2.55378372e+00 15 3.94456558e+01 5.23833810e+01 -6.63696072e+01 16 6.91452390e+01 5.09405640e+01 -7.16635405e+01 17 -1.98274902e+01 -1.83412359e+01 4.11318376e+00 18 -3.15000861e+00 -3.11227648e+01 7.77995129e+00 19 -3.36025477e+01 -1.58172078e+01 5.15675519e+01 20 -1.32882033e+01 2.53806289e+00 1.34812967e+01 21 4.31160097e+01 -3.70747348e+01 -8.55627437e+00 22 2.85878079e+01 -3.75422564e+01 5.91682950e+01 23 5.34277949e+00 -5.88072552e+00 4.93460245e+00 24 1.37994080e+01 4.40861005e+00 2.33609054e+01 25 -5.78064025e+01 1.53710018e+01 1.61480665e+01 26 -3.94153651e+01 2.39271351e+01 6.63179278e+01 27 -1.19360172e+01 -7.50594702e-03 3.16736720e+01 28 -1.22539351e+01 1.80083054e+01 8.68985195e+00 29 2.68874321e+01 1.86333368e+00 5.20722118e+01 30 1.10126038e+01 2.42736746e+01 -2.45748696e+01 31 1.68189344e+01 -2.67908422e+01 3.24159083e+01 32 -2.87730561e+00 2.43322322e+01 7.39664636e+00 MIXED STRUCTURE (pbc=False)-- Species = Cu Pd (Configuration in file "config-F-CuPd.xyz") ----------------------------------------------------------------------------------------------------- Energy = 215.4796658162745 Forces: 1 -9.75140311e+00 -3.91087453e+01 -3.22406590e+01 2 6.26455007e+00 2.01319026e+01 -2.62217103e+01 3 -1.15588247e+02 -7.06876290e+01 1.13794346e+02 4 -1.69818306e+01 5.02663693e+01 9.59876565e+00 5 7.51690770e+01 -7.43650605e-01 -1.41061640e+02 6 3.49782610e+01 2.84562741e+01 -4.23095427e+01 7 2.35398315e+01 -3.25940371e+01 2.98114075e+01 8 7.04420786e+01 1.39250977e+01 -3.85956236e+01 9 -2.33034426e+01 -6.77721962e+01 -3.96918175e+01 10 6.40464616e+01 3.85056509e+01 -3.40241303e+01 11 -2.35057256e+01 4.95181396e+01 -3.46094828e+01 12 -4.98794069e+01 3.85022182e+01 6.39654366e+01 13 -2.55047499e+01 -1.55984946e+01 -2.65932296e+01 14 3.41008303e+01 1.71392104e+01 -1.94903267e+01 15 3.73751041e+01 -6.87815694e+00 6.99719200e+00 16 -3.50135994e+01 3.38883269e+01 1.71878901e+01 17 -3.47751514e+00 -2.36540810e+01 2.53981586e+01 18 -5.47025829e+01 -4.57329098e+01 7.53428985e+01 19 -1.18888125e-01 -1.01767295e+01 7.02569534e+00 20 -4.02950637e+01 -2.46647170e+01 5.80328510e+00 21 1.09202928e+01 -1.53648369e+01 1.61163598e+01 22 1.83497619e+01 5.38299448e+01 -6.17819721e+01 23 2.79774971e+01 -6.39327947e+01 4.80175064e+01 24 -3.22389190e+01 1.00061283e+01 2.42755946e+01 25 -2.01526824e+01 1.29595341e+00 -6.71687466e+00 26 -5.77285558e+01 4.10392837e+01 -3.91185278e+00 27 3.80113309e+01 2.86183476e+01 2.91440714e+01 28 -6.43431183e+00 4.31861073e+00 8.44430265e+00 29 5.21987398e+01 -2.86254252e+01 -2.23257758e+00 30 3.37438087e+00 2.26331122e+01 -1.56059265e+01 31 1.88931139e+00 -1.98893868e+01 1.84604849e+01 32 1.60394146e+01 1.33492203e+01 2.57039708e+01 MIXED STRUCTURE (pbc=True)-- Species = Cu Pd (Configuration in file "config-T-CuPd.xyz") ----------------------------------------------------------------------------------------------------- Energy = 264.06659679136465 Forces: 1 -5.01109759e+00 -2.19804340e+01 -3.81577596e+01 2 7.48590429e-01 7.32345140e+00 -1.97167243e+00 3 -8.90057055e+01 9.39570672e+00 1.57784977e+02 4 -1.01620132e+01 4.00850724e+01 1.29107584e+01 5 7.00647358e+01 3.69235724e+00 -1.32721762e+02 6 3.09792972e+01 3.10273598e+01 -3.17369294e+01 7 -1.68245421e+00 -2.30120800e+01 3.09184425e+01 8 7.35991753e+01 1.68727186e+01 -3.77249033e+01 9 -1.57479608e+01 -6.99513831e+01 -4.45872821e+01 10 4.12825117e+01 -4.68613121e+01 -7.23558649e+01 11 -2.26086016e+01 5.13102339e+01 -3.47307747e+01 12 -2.68841972e+01 3.28346873e+01 7.18581461e+01 13 -2.28143843e+01 -1.66525823e+01 -2.22519517e+01 14 2.61628155e+01 1.39611792e+01 -1.84419762e+01 15 2.14254759e+01 -1.62274011e+01 9.10555078e+00 16 -3.11468986e+01 2.55037603e+01 1.46041741e+01 17 -2.57585610e-01 -1.56839806e+01 2.16446247e+01 18 -5.47575690e+01 -4.67443367e+01 7.35010125e+01 19 -1.37150399e+00 -6.97049004e-01 3.66772097e+00 20 -3.20500027e+01 -2.12380033e+01 3.60776369e+00 21 1.08434682e+01 -1.38794929e+01 1.79357597e+01 22 1.58777898e+01 5.11956941e+01 -6.23243156e+01 23 2.49246975e+01 -5.78224514e+01 4.48772071e+01 24 -3.20290385e+01 9.95610273e+00 1.58212819e+01 25 -1.23279325e+01 2.37311029e-01 -5.92728527e+00 26 -6.05228267e+01 3.50971381e+01 -6.35389442e+00 27 3.84027281e+01 3.55622837e+01 7.39347323e+00 28 1.13357129e+01 7.52184133e+00 1.23018832e+01 29 5.06885684e+01 -2.88304977e+01 -7.87353590e-01 30 -7.99452991e+00 1.91833859e+01 -2.13636169e+01 31 -9.21189261e+00 -2.12508394e+01 1.52366397e+01 32 1.92506277e+01 1.00715602e+01 1.82679260e+01 ================================================================================ VALGRIND OUTPUT ================================================================================ ==1416795== Memcheck, a memory error detector ==1416795== Copyright (C) 2002-2017, and GNU GPL'd, by Julian Seward et al. ==1416795== Using Valgrind-3.15.0 and LibVEX; rerun with -h for copyright info ==1416795== Command: python runner2.py MEAM_LAMMPS_JeongParkDo_2018_PdCu__MO_353393547686_001 ==1416795== ==1418028== Warning: invalid file descriptor 1024 in syscall close() ==1418028== Warning: invalid file descriptor 1025 in syscall close() ==1418028== Warning: invalid file descriptor 1026 in syscall close() ==1418028== Warning: invalid file descriptor 1027 in syscall close() ==1418028== Use --log-fd= to select an alternative log fd. ==1418028== Warning: invalid file descriptor 1028 in syscall close() ==1418028== Warning: invalid file descriptor 1029 in syscall close() ==1416795== Mismatched free() / delete / delete [] ==1416795== at 0x483CFBF: operator delete(void*) (in /usr/lib/x86_64-linux-gnu/valgrind/vgpreload_memcheck-amd64-linux.so) ==1416795== by 0x12C78838C: MEAMC::ProcessLibraryFile(_IO_FILE*, int, std::vector, std::allocator >, std::allocator, std::allocator > > > const&) (in /mmfs1/scratch/bwaters2/bwaters/job-dc070124-b789-44af-9110-f8b5920a3935-007-5d7a1587-03c8-44cb-8618-ec04e465befc/VC_561022993723_004-and-MO_353393547686_001-1669765229/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==1416795== by 0x12C65B54D: MEAMImplementation::ProcessParameterFiles(KIM::ModelDriverCreate*, int, _IO_FILE* const*) (in /mmfs1/scratch/bwaters2/bwaters/job-dc070124-b789-44af-9110-f8b5920a3935-007-5d7a1587-03c8-44cb-8618-ec04e465befc/VC_561022993723_004-and-MO_353393547686_001-1669765229/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==1416795== by 0x12C65CC83: MEAMImplementation::MEAMImplementation(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /mmfs1/scratch/bwaters2/bwaters/job-dc070124-b789-44af-9110-f8b5920a3935-007-5d7a1587-03c8-44cb-8618-ec04e465befc/VC_561022993723_004-and-MO_353393547686_001-1669765229/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==1416795== by 0x12C645DE7: MEAM::MEAM(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /mmfs1/scratch/bwaters2/bwaters/job-dc070124-b789-44af-9110-f8b5920a3935-007-5d7a1587-03c8-44cb-8618-ec04e465befc/VC_561022993723_004-and-MO_353393547686_001-1669765229/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==1416795== by 0x12C6495CE: ModelDriverCreateRoutine (in /mmfs1/scratch/bwaters2/bwaters/job-dc070124-b789-44af-9110-f8b5920a3935-007-5d7a1587-03c8-44cb-8618-ec04e465befc/VC_561022993723_004-and-MO_353393547686_001-1669765229/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==1416795== by 0x12BEB5F1E: 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) ==1416795== by 0x12BEB6E18: 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) ==1416795== by 0x12BEBB762: 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) ==1416795== by 0x12BE6B246: 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) ==1416795== by 0x12BDCB6C7: 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) ==1416795== by 0x12BDE117B: pybind11::cpp_function::dispatcher(_object*, _object*, _object*) (pybind11.h:929) ==1416795== Address 0xa8f7c4d0 is 0 bytes inside a block of size 1,024 alloc'd ==1416795== at 0x483C583: operator new[](unsigned long) (in /usr/lib/x86_64-linux-gnu/valgrind/vgpreload_memcheck-amd64-linux.so) ==1416795== by 0x12C787B11: MEAMC::ProcessLibraryFile(_IO_FILE*, int, std::vector, std::allocator >, std::allocator, std::allocator > > > const&) (in /mmfs1/scratch/bwaters2/bwaters/job-dc070124-b789-44af-9110-f8b5920a3935-007-5d7a1587-03c8-44cb-8618-ec04e465befc/VC_561022993723_004-and-MO_353393547686_001-1669765229/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==1416795== by 0x12C65B54D: MEAMImplementation::ProcessParameterFiles(KIM::ModelDriverCreate*, int, _IO_FILE* const*) (in /mmfs1/scratch/bwaters2/bwaters/job-dc070124-b789-44af-9110-f8b5920a3935-007-5d7a1587-03c8-44cb-8618-ec04e465befc/VC_561022993723_004-and-MO_353393547686_001-1669765229/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==1416795== by 0x12C65CC83: MEAMImplementation::MEAMImplementation(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /mmfs1/scratch/bwaters2/bwaters/job-dc070124-b789-44af-9110-f8b5920a3935-007-5d7a1587-03c8-44cb-8618-ec04e465befc/VC_561022993723_004-and-MO_353393547686_001-1669765229/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==1416795== by 0x12C645DE7: MEAM::MEAM(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /mmfs1/scratch/bwaters2/bwaters/job-dc070124-b789-44af-9110-f8b5920a3935-007-5d7a1587-03c8-44cb-8618-ec04e465befc/VC_561022993723_004-and-MO_353393547686_001-1669765229/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==1416795== by 0x12C6495CE: ModelDriverCreateRoutine (in /mmfs1/scratch/bwaters2/bwaters/job-dc070124-b789-44af-9110-f8b5920a3935-007-5d7a1587-03c8-44cb-8618-ec04e465befc/VC_561022993723_004-and-MO_353393547686_001-1669765229/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==1416795== by 0x12BEB5F1E: 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) ==1416795== by 0x12BEB6E18: 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) ==1416795== by 0x12BEBB762: 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) ==1416795== by 0x12BE6B246: 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) ==1416795== by 0x12BDCB6C7: 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) ==1416795== by 0x12BDE117B: pybind11::cpp_function::dispatcher(_object*, _object*, _object*) (pybind11.h:929) ==1416795== ==1416795== Mismatched free() / delete / delete [] ==1416795== at 0x483CFBF: operator delete(void*) (in /usr/lib/x86_64-linux-gnu/valgrind/vgpreload_memcheck-amd64-linux.so) ==1416795== by 0x12C782DBD: MEAMC::ProcessParameterFile(_IO_FILE*, int) (in /mmfs1/scratch/bwaters2/bwaters/job-dc070124-b789-44af-9110-f8b5920a3935-007-5d7a1587-03c8-44cb-8618-ec04e465befc/VC_561022993723_004-and-MO_353393547686_001-1669765229/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==1416795== by 0x12C65B578: MEAMImplementation::ProcessParameterFiles(KIM::ModelDriverCreate*, int, _IO_FILE* const*) (in /mmfs1/scratch/bwaters2/bwaters/job-dc070124-b789-44af-9110-f8b5920a3935-007-5d7a1587-03c8-44cb-8618-ec04e465befc/VC_561022993723_004-and-MO_353393547686_001-1669765229/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==1416795== by 0x12C65CC83: MEAMImplementation::MEAMImplementation(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /mmfs1/scratch/bwaters2/bwaters/job-dc070124-b789-44af-9110-f8b5920a3935-007-5d7a1587-03c8-44cb-8618-ec04e465befc/VC_561022993723_004-and-MO_353393547686_001-1669765229/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==1416795== by 0x12C645DE7: MEAM::MEAM(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /mmfs1/scratch/bwaters2/bwaters/job-dc070124-b789-44af-9110-f8b5920a3935-007-5d7a1587-03c8-44cb-8618-ec04e465befc/VC_561022993723_004-and-MO_353393547686_001-1669765229/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==1416795== by 0x12C6495CE: ModelDriverCreateRoutine (in /mmfs1/scratch/bwaters2/bwaters/job-dc070124-b789-44af-9110-f8b5920a3935-007-5d7a1587-03c8-44cb-8618-ec04e465befc/VC_561022993723_004-and-MO_353393547686_001-1669765229/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==1416795== by 0x12BEB5F1E: 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) ==1416795== by 0x12BEB6E18: 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) ==1416795== by 0x12BEBB762: 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) ==1416795== by 0x12BE6B246: 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) ==1416795== by 0x12BDCB6C7: 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) ==1416795== by 0x12BDE117B: pybind11::cpp_function::dispatcher(_object*, _object*, _object*) (pybind11.h:929) ==1416795== Address 0xa8f7d760 is 0 bytes inside a block of size 1,024 alloc'd ==1416795== at 0x483C583: operator new[](unsigned long) (in /usr/lib/x86_64-linux-gnu/valgrind/vgpreload_memcheck-amd64-linux.so) ==1416795== by 0x12C782B9B: MEAMC::ProcessParameterFile(_IO_FILE*, int) (in /mmfs1/scratch/bwaters2/bwaters/job-dc070124-b789-44af-9110-f8b5920a3935-007-5d7a1587-03c8-44cb-8618-ec04e465befc/VC_561022993723_004-and-MO_353393547686_001-1669765229/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==1416795== by 0x12C65B578: MEAMImplementation::ProcessParameterFiles(KIM::ModelDriverCreate*, int, _IO_FILE* const*) (in /mmfs1/scratch/bwaters2/bwaters/job-dc070124-b789-44af-9110-f8b5920a3935-007-5d7a1587-03c8-44cb-8618-ec04e465befc/VC_561022993723_004-and-MO_353393547686_001-1669765229/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==1416795== by 0x12C65CC83: MEAMImplementation::MEAMImplementation(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /mmfs1/scratch/bwaters2/bwaters/job-dc070124-b789-44af-9110-f8b5920a3935-007-5d7a1587-03c8-44cb-8618-ec04e465befc/VC_561022993723_004-and-MO_353393547686_001-1669765229/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==1416795== by 0x12C645DE7: MEAM::MEAM(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /mmfs1/scratch/bwaters2/bwaters/job-dc070124-b789-44af-9110-f8b5920a3935-007-5d7a1587-03c8-44cb-8618-ec04e465befc/VC_561022993723_004-and-MO_353393547686_001-1669765229/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==1416795== by 0x12C6495CE: ModelDriverCreateRoutine (in /mmfs1/scratch/bwaters2/bwaters/job-dc070124-b789-44af-9110-f8b5920a3935-007-5d7a1587-03c8-44cb-8618-ec04e465befc/VC_561022993723_004-and-MO_353393547686_001-1669765229/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==1416795== by 0x12BEB5F1E: 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) ==1416795== by 0x12BEB6E18: 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) ==1416795== by 0x12BEBB762: 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) ==1416795== by 0x12BE6B246: 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) ==1416795== by 0x12BDCB6C7: 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) ==1416795== by 0x12BDE117B: pybind11::cpp_function::dispatcher(_object*, _object*, _object*) (pybind11.h:929) ==1416795== ==1416795== ==1416795== HEAP SUMMARY: ==1416795== in use at exit: 2,257,671 bytes in 1,702 blocks ==1416795== total heap usage: 93,062 allocs, 91,360 frees, 115,252,149 bytes allocated ==1416795== ==1416795== LEAK SUMMARY: ==1416795== definitely lost: 0 bytes in 0 blocks ==1416795== indirectly lost: 0 bytes in 0 blocks ==1416795== possibly lost: 180,827 bytes in 103 blocks ==1416795== still reachable: 2,076,812 bytes in 1,598 blocks ==1416795== of which reachable via heuristic: ==1416795== stdstring : 38 bytes in 1 blocks ==1416795== suppressed: 32 bytes in 1 blocks ==1416795== Rerun with --leak-check=full to see details of leaked memory ==1416795== ==1416795== For lists of detected and suppressed errors, rerun with: -s ==1416795== ERROR SUMMARY: 20 errors from 2 contexts (suppressed: 7937 from 544) ================================================================================ 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.