!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!! !!!!! !!!!! 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_KimLee_2008_TiN__MO_070542625990_001 Supported species : N Ti random seed = 13 lattice constant (orig) = 3.000 perturbation amplitude = 0.300 number unit cells per side = 2 ----------------------------------------------------------------------------------------------------- MONOATOMIC STRUCTURE (pbc=False)-- Species = N (Configuration in file "config-F-N.xyz") ----------------------------------------------------------------------------------------------------- Energy = 104.53980216928534 Forces: 1 -1.61243081e+01 -1.35726369e+01 7.21118233e+00 2 2.07862582e+01 -1.96449030e+00 6.11700637e+00 3 1.64806825e+00 1.48594054e+01 -1.42708112e+01 4 1.07042419e+00 4.69778992e+00 -1.94327159e+01 5 -2.75697157e+00 -4.64722524e-01 -5.18095756e+00 6 3.38271369e+00 4.15972597e-01 -3.87142813e+00 7 8.50482107e+00 -1.30479115e+01 5.24160424e+01 8 -9.70206061e+00 6.40861660e+01 2.20545756e+01 9 -7.80341188e+00 2.98422764e+00 -1.23219561e+00 10 -7.91592499e-01 2.64667943e+01 6.73298252e+00 11 -8.62230368e-01 1.14118461e+00 -2.75965602e+01 12 -1.31775414e+00 1.79409161e+00 -1.56305549e+00 13 2.06353429e+01 2.47109125e-01 2.01692367e+01 14 9.62486210e-01 1.01397167e+00 -3.20863062e-01 15 1.89622875e+01 -2.03758574e+01 -3.08358984e+01 16 -3.07303014e+01 -4.16113519e+00 -2.90272961e+01 17 -2.23250917e+00 3.13427062e+00 2.18377842e+01 18 -2.33339835e+01 -2.65497879e+01 -1.22558262e+01 19 6.99216964e+00 7.67328606e+00 1.02730512e+01 20 5.22735893e+00 -1.32096514e+01 -6.27502687e+00 21 -9.64321625e+00 -3.72643701e+01 -1.45052975e+01 22 -3.45984422e+00 1.31479689e+01 -5.50356266e+01 23 4.92803987e+00 -3.55411286e+00 2.89265785e+00 24 1.42505265e+00 -7.98328572e+00 1.97928862e+01 25 6.12416189e+00 -1.41350167e+01 -2.42539438e+00 26 2.25039203e+01 7.75589267e+00 -1.58633509e+01 27 -2.22250581e+01 3.28229070e+00 1.27855124e+00 28 9.06364353e+00 7.71705791e+00 2.63233610e+01 29 4.20405658e-02 -3.87627132e+01 4.60206679e+01 30 1.49337242e+01 7.26771906e+00 9.09661526e+00 31 -5.86492196e+00 2.54148215e+01 -1.13098619e+01 32 -1.03443497e+01 1.94567127e+00 -1.21443463e+00 MONOATOMIC STRUCTURE (pbc=True)-- Species = N (Configuration in file "config-T-N.xyz") ----------------------------------------------------------------------------------------------------- Energy = 104.53980216928534 Forces: 1 -1.61243081e+01 -1.35726369e+01 7.21118233e+00 2 2.07862582e+01 -1.96449030e+00 6.11700637e+00 3 1.64806825e+00 1.48594054e+01 -1.42708112e+01 4 1.07042419e+00 4.69778992e+00 -1.94327159e+01 5 -2.75697157e+00 -4.64722524e-01 -5.18095756e+00 6 3.38271369e+00 4.15972597e-01 -3.87142813e+00 7 8.50482107e+00 -1.30479115e+01 5.24160424e+01 8 -9.70206061e+00 6.40861660e+01 2.20545756e+01 9 -7.80341188e+00 2.98422764e+00 -1.23219561e+00 10 -7.91592499e-01 2.64667943e+01 6.73298252e+00 11 -8.62230368e-01 1.14118461e+00 -2.75965602e+01 12 -1.31775414e+00 1.79409161e+00 -1.56305549e+00 13 2.06353429e+01 2.47109125e-01 2.01692367e+01 14 9.62486210e-01 1.01397167e+00 -3.20863062e-01 15 1.89622875e+01 -2.03758574e+01 -3.08358984e+01 16 -3.07303014e+01 -4.16113519e+00 -2.90272961e+01 17 -2.23250917e+00 3.13427062e+00 2.18377842e+01 18 -2.33339835e+01 -2.65497879e+01 -1.22558262e+01 19 6.99216964e+00 7.67328606e+00 1.02730512e+01 20 5.22735893e+00 -1.32096514e+01 -6.27502687e+00 21 -9.64321625e+00 -3.72643701e+01 -1.45052975e+01 22 -3.45984422e+00 1.31479689e+01 -5.50356266e+01 23 4.92803987e+00 -3.55411286e+00 2.89265785e+00 24 1.42505265e+00 -7.98328572e+00 1.97928862e+01 25 6.12416189e+00 -1.41350167e+01 -2.42539438e+00 26 2.25039203e+01 7.75589267e+00 -1.58633509e+01 27 -2.22250581e+01 3.28229070e+00 1.27855124e+00 28 9.06364353e+00 7.71705791e+00 2.63233610e+01 29 4.20405658e-02 -3.87627132e+01 4.60206679e+01 30 1.49337242e+01 7.26771906e+00 9.09661526e+00 31 -5.86492196e+00 2.54148215e+01 -1.13098619e+01 32 -1.03443497e+01 1.94567127e+00 -1.21443463e+00 MONOATOMIC STRUCTURE (pbc=False)-- Species = Ti (Configuration in file "config-F-Ti.xyz") ----------------------------------------------------------------------------------------------------- Energy = 105.43118949565871 Forces: 1 -1.29013729e+01 -1.07758404e+01 -1.14458259e+01 2 4.04607671e+00 2.91613847e+00 -2.77578684e+01 3 1.52975341e+01 -2.82424765e+01 9.89786728e+00 4 -3.18189490e+01 1.15429642e+01 2.36797824e+00 5 6.77767127e+00 -8.26614908e+00 -6.16137753e+00 6 9.05920681e+00 -4.24389693e+00 -9.09942105e+00 7 4.27194074e+00 -4.71063807e+00 -1.77404633e+00 8 1.12853848e+01 -1.37248806e+01 5.54228534e+00 9 -1.89714667e+01 -7.17311353e+00 -2.16608707e+01 10 7.44525852e+00 2.32621234e+01 -2.02516764e+01 11 -5.38595774e+00 9.04805487e-01 1.06466963e+01 12 -1.67086440e+01 1.27087524e+01 8.14529413e+00 13 2.03574949e+00 -2.92180316e+00 -2.50522089e+01 14 8.44707968e+00 6.69350587e+00 -8.23668412e+00 15 2.52647949e+01 -8.05488622e+00 -9.64928678e+00 16 9.02403072e-01 2.91131493e+01 6.19014594e-01 17 -1.57784821e+01 -1.35343775e+01 -3.75759601e+00 18 6.86849563e+00 -4.35562891e+00 7.28102567e+00 19 8.24647040e+00 -1.45649184e+01 9.69209130e+00 20 -1.21346164e+01 -4.35701484e+00 1.44319935e+01 21 -1.04708843e+01 -1.60339855e+01 -7.31185786e+00 22 1.40622557e+01 -2.92707697e+00 -8.31390992e+00 23 6.74227650e+00 -8.44708505e+00 8.02926527e+00 24 -4.92094672e-01 8.06676573e-01 1.30605776e+01 25 -2.09073180e+01 1.06169482e+01 -4.94067125e+00 26 -3.35574094e+00 1.14455748e+01 9.01577629e+00 27 9.50814562e+00 8.66266398e+00 1.60845007e+01 28 -3.18298279e+00 7.38288623e+00 3.54613026e+00 29 -1.40261451e+01 -1.44477226e+01 8.43139277e+00 30 2.44098297e+01 2.05616909e+01 -6.72346710e-01 31 1.14946642e+01 7.39110503e+00 2.04597727e+01 32 -1.00305833e+01 1.27725094e+01 1.88339861e+01 MONOATOMIC STRUCTURE (pbc=True)-- Species = Ti (Configuration in file "config-T-Ti.xyz") ----------------------------------------------------------------------------------------------------- Energy = 105.43118949565871 Forces: 1 -1.29013729e+01 -1.07758404e+01 -1.14458259e+01 2 4.04607671e+00 2.91613847e+00 -2.77578684e+01 3 1.52975341e+01 -2.82424765e+01 9.89786728e+00 4 -3.18189490e+01 1.15429642e+01 2.36797824e+00 5 6.77767127e+00 -8.26614908e+00 -6.16137753e+00 6 9.05920681e+00 -4.24389693e+00 -9.09942105e+00 7 4.27194074e+00 -4.71063807e+00 -1.77404633e+00 8 1.12853848e+01 -1.37248806e+01 5.54228534e+00 9 -1.89714667e+01 -7.17311353e+00 -2.16608707e+01 10 7.44525852e+00 2.32621234e+01 -2.02516764e+01 11 -5.38595774e+00 9.04805487e-01 1.06466963e+01 12 -1.67086440e+01 1.27087524e+01 8.14529413e+00 13 2.03574949e+00 -2.92180316e+00 -2.50522089e+01 14 8.44707968e+00 6.69350587e+00 -8.23668412e+00 15 2.52647949e+01 -8.05488622e+00 -9.64928678e+00 16 9.02403072e-01 2.91131493e+01 6.19014594e-01 17 -1.57784821e+01 -1.35343775e+01 -3.75759601e+00 18 6.86849563e+00 -4.35562891e+00 7.28102567e+00 19 8.24647040e+00 -1.45649184e+01 9.69209130e+00 20 -1.21346164e+01 -4.35701484e+00 1.44319935e+01 21 -1.04708843e+01 -1.60339855e+01 -7.31185786e+00 22 1.40622557e+01 -2.92707697e+00 -8.31390992e+00 23 6.74227650e+00 -8.44708505e+00 8.02926527e+00 24 -4.92094672e-01 8.06676573e-01 1.30605776e+01 25 -2.09073180e+01 1.06169482e+01 -4.94067125e+00 26 -3.35574094e+00 1.14455748e+01 9.01577629e+00 27 9.50814562e+00 8.66266398e+00 1.60845007e+01 28 -3.18298279e+00 7.38288623e+00 3.54613026e+00 29 -1.40261451e+01 -1.44477226e+01 8.43139277e+00 30 2.44098297e+01 2.05616909e+01 -6.72346710e-01 31 1.14946642e+01 7.39110503e+00 2.04597727e+01 32 -1.00305833e+01 1.27725094e+01 1.88339861e+01 MIXED STRUCTURE (pbc=False)-- Species = N Ti (Configuration in file "config-F-NTi.xyz") ----------------------------------------------------------------------------------------------------- Energy = -7.59910914966652 Forces: 1 -1.45655602e+01 -2.56943882e+01 1.84683110e+01 2 8.66656538e+00 6.47646463e+00 -2.07981838e+01 3 -6.52925928e-01 1.40522848e+01 -3.27042197e+01 4 -1.44088364e+01 -9.36111323e+00 -7.72076454e+00 5 -1.19061392e+01 -4.13422710e+00 -1.01576294e+01 6 3.57417728e+01 2.62051323e+01 -2.04939365e+01 7 1.23574096e+01 -1.11880724e+01 8.14319525e+00 8 1.88014268e-01 3.18686951e+01 4.19786453e+01 9 -1.88306208e+01 1.09412291e+01 -1.09337506e+01 10 -3.98019931e-01 4.97934012e+00 1.39225221e+00 11 2.36381297e+00 8.42472389e+00 1.04572205e+01 12 -1.89794717e+01 3.89645942e+00 -2.20719726e+01 13 -6.43277076e+00 -2.72388154e+01 -5.57664090e+00 14 7.31029329e+00 1.09397767e+00 -8.96473185e+00 15 4.03634240e+00 -3.80393199e+01 -5.50178944e+00 16 -6.66994793e+00 7.51681179e+00 -2.49419269e+00 17 5.82786874e+00 2.84210662e+00 2.45392934e+01 18 7.43320837e+00 -1.58097626e+00 -1.92955620e+00 19 7.91063854e+00 -2.81901479e+01 -9.16838007e+00 20 -2.79064215e+01 1.15927450e+01 2.56071370e+00 21 -2.75532620e+00 -7.62718461e+00 -3.21158947e+00 22 1.27952894e+01 9.81839079e+00 -6.61399012e+00 23 1.59567499e+00 -1.31285003e+01 1.38461204e+01 24 -2.45393503e+00 -8.46828045e+00 1.70825888e+01 25 -5.67658571e+00 -5.12538774e-01 1.35055947e-01 26 1.66455644e+01 1.43488582e+01 1.09043665e+01 27 -1.46821568e+01 -1.56919516e+01 1.50111496e+01 28 -1.01471021e+01 6.15023598e+00 7.89204671e+00 29 6.71925235e+00 4.87453974e+00 -1.86851467e+01 30 1.25305434e+01 1.15113658e+01 -6.04889360e+00 31 6.11141256e+00 -3.37904621e+00 6.31801153e+00 32 8.23215667e+00 1.76412013e+01 1.43463974e+01 MIXED STRUCTURE (pbc=True)-- Species = N Ti (Configuration in file "config-T-NTi.xyz") ----------------------------------------------------------------------------------------------------- Energy = 20.27654932043358 Forces: 1 -1.76661347e+01 -3.29280190e+01 1.45836347e+01 2 3.93577874e+00 1.58439590e+01 -7.63334811e+00 3 3.34808306e+00 2.15909194e+01 -3.04562266e+01 4 -9.28296579e+00 -2.48216044e+00 -1.06013579e+01 5 -1.65367427e+01 3.04075576e+00 -1.16885684e+01 6 2.52648145e+01 2.17571382e+01 -1.16696312e+01 7 1.44277291e+01 -8.50746065e+00 8.52571367e+00 8 -7.48674704e-01 3.30623169e+01 4.43344096e+01 9 -2.24185221e+01 1.18209685e+01 -2.75725669e+00 10 3.00060026e+00 -6.16199668e-01 1.09302482e+01 11 2.71995799e+00 8.30453865e+00 1.09820225e+01 12 -1.54351862e+01 -8.88127277e-02 -2.51749084e+01 13 -7.96290563e+00 -3.27131683e+01 -1.03091787e+01 14 1.24202679e+01 -5.88209685e+00 -3.65162717e+00 15 6.68259904e+00 -4.63076520e+01 -1.58537701e+01 16 -8.30905123e+00 -7.06511517e+00 -3.95995244e+00 17 9.70598053e+00 2.24139237e+00 2.72169016e+01 18 9.28780005e+00 -2.18883956e-01 -3.82466058e+00 19 -5.32924688e+00 -3.44569650e+01 -1.78388322e+01 20 -6.14737543e+00 1.43992132e+01 -1.33007929e+01 21 -2.88199425e+00 6.66706563e+00 1.40334612e-01 22 5.22209486e+00 1.36284419e+01 -2.13954879e+00 23 5.83916939e+00 -2.62677628e+00 1.33953896e+01 24 6.68004736e+00 -2.53258222e+00 8.42241548e+00 25 -2.94663463e+00 -9.42988791e+00 1.27448921e+01 26 1.29243767e+01 1.47198666e+01 1.03900519e+01 27 -1.50745590e+01 -1.72406768e+01 1.76710230e+01 28 -2.16183610e+00 6.43018645e+00 1.19546545e+01 29 5.24277567e+00 2.58969761e+00 -1.89087524e+01 30 1.11318686e+01 4.37352301e+00 -1.32570900e+01 31 -1.00246066e+01 8.42295143e+00 -8.73610127e-01 32 5.09249222e+00 1.42035225e+01 1.26074211e+01 ================================================================================ VALGRIND OUTPUT ================================================================================ ==88921== Memcheck, a memory error detector ==88921== Copyright (C) 2002-2017, and GNU GPL'd, by Julian Seward et al. ==88921== Using Valgrind-3.15.0 and LibVEX; rerun with -h for copyright info ==88921== Command: python runner2.py MEAM_LAMMPS_KimLee_2008_TiN__MO_070542625990_001 ==88921== ==91772== Warning: invalid file descriptor 255988 in syscall close() ==91772== Warning: invalid file descriptor 255989 in syscall close() ==91772== Warning: invalid file descriptor 255990 in syscall close() ==91772== Warning: invalid file descriptor 255991 in syscall close() ==91772== Use --log-fd= to select an alternative log fd. ==91772== Warning: invalid file descriptor 255992 in syscall close() ==91772== Warning: invalid file descriptor 255993 in syscall close() ==88921== Mismatched free() / delete / delete [] ==88921== at 0x483CFBF: operator delete(void*) (in /usr/lib/x86_64-linux-gnu/valgrind/vgpreload_memcheck-amd64-linux.so) ==88921== by 0x119C7539C: MEAMC::ProcessLibraryFile(_IO_FILE*, int, std::vector, std::allocator >, std::allocator, std::allocator > > > const&) (in /work/07753/dskarls/stampede2/jobs/dskarls/job-1b20e9b3-a77c-4bc7-a887-b30d18ef95a5-007-2a85c3ac-1084-4f59-8951-063b9c7f0e98/VC_561022993723_003-and-MO_070542625990_001-1653195117/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==88921== by 0x119B4854D: MEAMImplementation::ProcessParameterFiles(KIM::ModelDriverCreate*, int, _IO_FILE* const*) (in /work/07753/dskarls/stampede2/jobs/dskarls/job-1b20e9b3-a77c-4bc7-a887-b30d18ef95a5-007-2a85c3ac-1084-4f59-8951-063b9c7f0e98/VC_561022993723_003-and-MO_070542625990_001-1653195117/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==88921== 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-1b20e9b3-a77c-4bc7-a887-b30d18ef95a5-007-2a85c3ac-1084-4f59-8951-063b9c7f0e98/VC_561022993723_003-and-MO_070542625990_001-1653195117/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==88921== 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-1b20e9b3-a77c-4bc7-a887-b30d18ef95a5-007-2a85c3ac-1084-4f59-8951-063b9c7f0e98/VC_561022993723_003-and-MO_070542625990_001-1653195117/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==88921== by 0x119B365CE: ModelDriverCreateRoutine (in /work/07753/dskarls/stampede2/jobs/dskarls/job-1b20e9b3-a77c-4bc7-a887-b30d18ef95a5-007-2a85c3ac-1084-4f59-8951-063b9c7f0e98/VC_561022993723_003-and-MO_070542625990_001-1653195117/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==88921== by 0x3EDF8F1E: 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) ==88921== by 0x3EDF9E18: 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) ==88921== by 0x3EDFE762: 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) ==88921== by 0x3EDAE246: 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) ==88921== by 0x1208B4C7: 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) ==88921== by 0x1209F2E3: pybind11::cpp_function::dispatcher(_object*, _object*, _object*) (pybind11.h:792) ==88921== Address 0x3eadc4e0 is 0 bytes inside a block of size 1,024 alloc'd ==88921== at 0x483C583: operator new[](unsigned long) (in /usr/lib/x86_64-linux-gnu/valgrind/vgpreload_memcheck-amd64-linux.so) ==88921== by 0x119C74B21: MEAMC::ProcessLibraryFile(_IO_FILE*, int, std::vector, std::allocator >, std::allocator, std::allocator > > > const&) (in /work/07753/dskarls/stampede2/jobs/dskarls/job-1b20e9b3-a77c-4bc7-a887-b30d18ef95a5-007-2a85c3ac-1084-4f59-8951-063b9c7f0e98/VC_561022993723_003-and-MO_070542625990_001-1653195117/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==88921== by 0x119B4854D: MEAMImplementation::ProcessParameterFiles(KIM::ModelDriverCreate*, int, _IO_FILE* const*) (in /work/07753/dskarls/stampede2/jobs/dskarls/job-1b20e9b3-a77c-4bc7-a887-b30d18ef95a5-007-2a85c3ac-1084-4f59-8951-063b9c7f0e98/VC_561022993723_003-and-MO_070542625990_001-1653195117/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==88921== 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-1b20e9b3-a77c-4bc7-a887-b30d18ef95a5-007-2a85c3ac-1084-4f59-8951-063b9c7f0e98/VC_561022993723_003-and-MO_070542625990_001-1653195117/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==88921== 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-1b20e9b3-a77c-4bc7-a887-b30d18ef95a5-007-2a85c3ac-1084-4f59-8951-063b9c7f0e98/VC_561022993723_003-and-MO_070542625990_001-1653195117/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==88921== by 0x119B365CE: ModelDriverCreateRoutine (in /work/07753/dskarls/stampede2/jobs/dskarls/job-1b20e9b3-a77c-4bc7-a887-b30d18ef95a5-007-2a85c3ac-1084-4f59-8951-063b9c7f0e98/VC_561022993723_003-and-MO_070542625990_001-1653195117/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==88921== by 0x3EDF8F1E: 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) ==88921== by 0x3EDF9E18: 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) ==88921== by 0x3EDFE762: 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) ==88921== by 0x3EDAE246: 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) ==88921== by 0x1208B4C7: 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) ==88921== by 0x1209F2E3: pybind11::cpp_function::dispatcher(_object*, _object*, _object*) (pybind11.h:792) ==88921== ==88921== Mismatched free() / delete / delete [] ==88921== at 0x483CFBF: operator delete(void*) (in /usr/lib/x86_64-linux-gnu/valgrind/vgpreload_memcheck-amd64-linux.so) ==88921== by 0x119C6FDCD: MEAMC::ProcessParameterFile(_IO_FILE*, int) (in /work/07753/dskarls/stampede2/jobs/dskarls/job-1b20e9b3-a77c-4bc7-a887-b30d18ef95a5-007-2a85c3ac-1084-4f59-8951-063b9c7f0e98/VC_561022993723_003-and-MO_070542625990_001-1653195117/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==88921== by 0x119B48578: MEAMImplementation::ProcessParameterFiles(KIM::ModelDriverCreate*, int, _IO_FILE* const*) (in /work/07753/dskarls/stampede2/jobs/dskarls/job-1b20e9b3-a77c-4bc7-a887-b30d18ef95a5-007-2a85c3ac-1084-4f59-8951-063b9c7f0e98/VC_561022993723_003-and-MO_070542625990_001-1653195117/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==88921== 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-1b20e9b3-a77c-4bc7-a887-b30d18ef95a5-007-2a85c3ac-1084-4f59-8951-063b9c7f0e98/VC_561022993723_003-and-MO_070542625990_001-1653195117/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==88921== 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-1b20e9b3-a77c-4bc7-a887-b30d18ef95a5-007-2a85c3ac-1084-4f59-8951-063b9c7f0e98/VC_561022993723_003-and-MO_070542625990_001-1653195117/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==88921== by 0x119B365CE: ModelDriverCreateRoutine (in /work/07753/dskarls/stampede2/jobs/dskarls/job-1b20e9b3-a77c-4bc7-a887-b30d18ef95a5-007-2a85c3ac-1084-4f59-8951-063b9c7f0e98/VC_561022993723_003-and-MO_070542625990_001-1653195117/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==88921== by 0x3EDF8F1E: 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) ==88921== by 0x3EDF9E18: 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) ==88921== by 0x3EDFE762: 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) ==88921== by 0x3EDAE246: 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) ==88921== by 0x1208B4C7: 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) ==88921== by 0x1209F2E3: pybind11::cpp_function::dispatcher(_object*, _object*, _object*) (pybind11.h:792) ==88921== Address 0x3eadd770 is 0 bytes inside a block of size 1,024 alloc'd ==88921== at 0x483C583: operator new[](unsigned long) (in /usr/lib/x86_64-linux-gnu/valgrind/vgpreload_memcheck-amd64-linux.so) ==88921== by 0x119C6FBAB: MEAMC::ProcessParameterFile(_IO_FILE*, int) (in /work/07753/dskarls/stampede2/jobs/dskarls/job-1b20e9b3-a77c-4bc7-a887-b30d18ef95a5-007-2a85c3ac-1084-4f59-8951-063b9c7f0e98/VC_561022993723_003-and-MO_070542625990_001-1653195117/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==88921== by 0x119B48578: MEAMImplementation::ProcessParameterFiles(KIM::ModelDriverCreate*, int, _IO_FILE* const*) (in /work/07753/dskarls/stampede2/jobs/dskarls/job-1b20e9b3-a77c-4bc7-a887-b30d18ef95a5-007-2a85c3ac-1084-4f59-8951-063b9c7f0e98/VC_561022993723_003-and-MO_070542625990_001-1653195117/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==88921== 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-1b20e9b3-a77c-4bc7-a887-b30d18ef95a5-007-2a85c3ac-1084-4f59-8951-063b9c7f0e98/VC_561022993723_003-and-MO_070542625990_001-1653195117/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==88921== 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-1b20e9b3-a77c-4bc7-a887-b30d18ef95a5-007-2a85c3ac-1084-4f59-8951-063b9c7f0e98/VC_561022993723_003-and-MO_070542625990_001-1653195117/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==88921== by 0x119B365CE: ModelDriverCreateRoutine (in /work/07753/dskarls/stampede2/jobs/dskarls/job-1b20e9b3-a77c-4bc7-a887-b30d18ef95a5-007-2a85c3ac-1084-4f59-8951-063b9c7f0e98/VC_561022993723_003-and-MO_070542625990_001-1653195117/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==88921== by 0x3EDF8F1E: 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) ==88921== by 0x3EDF9E18: 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) ==88921== by 0x3EDFE762: 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) ==88921== by 0x3EDAE246: 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) ==88921== by 0x1208B4C7: 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) ==88921== by 0x1209F2E3: pybind11::cpp_function::dispatcher(_object*, _object*, _object*) (pybind11.h:792) ==88921== ==88921== ==88921== HEAP SUMMARY: ==88921== in use at exit: 2,203,191 bytes in 1,644 blocks ==88921== total heap usage: 95,615 allocs, 93,971 frees, 120,198,335 bytes allocated ==88921== ==88921== LEAK SUMMARY: ==88921== definitely lost: 0 bytes in 0 blocks ==88921== indirectly lost: 0 bytes in 0 blocks ==88921== possibly lost: 198,622 bytes in 101 blocks ==88921== still reachable: 2,004,537 bytes in 1,542 blocks ==88921== suppressed: 32 bytes in 1 blocks ==88921== Rerun with --leak-check=full to see details of leaked memory ==88921== ==88921== For lists of detected and suppressed errors, rerun with: -s ==88921== ERROR SUMMARY: 20 errors from 2 contexts (suppressed: 9315 from 556) ================================================================================ 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.