Enter a model name: === Verification check vc-memory-leak start (2022-11-29 20:36:33) === !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!! !!!!! !!!!! 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_LeeLeeKim_2006_FeN__MO_432861766738_001 Supported species : Fe N random seed = 13 lattice constant (orig) = 3.000 perturbation amplitude = 0.300 number unit cells per side = 2 ----------------------------------------------------------------------------------------------------- MONOATOMIC STRUCTURE (pbc=False)-- Species = Fe (Configuration in file "config-F-Fe.xyz") ----------------------------------------------------------------------------------------------------- Energy = -2.8025143964956034 Forces: 1 -5.34259516e+00 -5.58284573e+00 -8.66926910e+00 2 -5.51118880e+00 9.29800556e+00 -5.22872961e+00 3 1.83244201e+00 -6.64801638e+00 5.16254570e+00 4 -4.75130818e+00 5.38941934e+00 3.12182955e+00 5 -1.32817315e-01 -1.55009208e+01 -2.72772490e+00 6 9.96344673e+00 7.58333526e+00 -7.91993323e+00 7 5.60022814e+00 -2.42570445e+01 -1.98461996e+01 8 -1.13112670e+01 -1.13616021e+01 -4.00329793e+00 9 -2.40178227e+00 -1.13410898e+01 -1.24021422e+01 10 -3.70569601e+00 1.03798513e+01 -1.38091878e+01 11 -7.64290822e+00 -6.42140605e+00 -9.68929420e+00 12 -8.27488007e+00 1.05425078e+01 1.05358033e+01 13 -9.40124849e+00 -1.09246118e+01 -3.25034928e+01 14 5.83844063e+00 7.58673263e+00 -4.92062466e+00 15 3.05583454e+01 -9.76230565e+00 3.88008891e+00 16 2.99108838e+00 2.49399129e+01 7.90446565e+00 17 -9.38993418e+00 -6.53124123e+00 -4.79684320e+00 18 4.00705602e+00 2.32349313e+00 2.11027991e+00 19 4.32362382e+00 -7.62752648e+00 5.94902354e+00 20 -3.59372652e+00 5.22180237e+00 5.39546513e+00 21 -9.80161143e+00 -7.98796992e+00 6.61320675e+00 22 1.65936256e+01 1.81404459e+01 1.97107030e+01 23 2.12632691e+00 -5.69721743e-01 3.44198035e+00 24 1.34940653e+00 1.70139749e+00 2.94038792e+00 25 -1.71175632e+01 -5.27354470e+00 -4.92752505e+00 26 -4.93106997e+00 1.89231618e+01 -5.38107386e+00 27 1.35666913e+01 -2.62222171e+01 1.37893507e+01 28 -2.21820958e+01 2.15209731e+01 7.24816858e+00 29 -1.57423388e+00 -6.89308671e+00 1.16827740e+01 30 8.14778610e+00 1.33919099e+01 8.02727890e+00 31 1.24417038e+01 -4.84169367e+00 7.52354547e+00 32 7.72571513e+00 1.08038960e+01 1.17884408e+01 MONOATOMIC STRUCTURE (pbc=True)-- Species = Fe (Configuration in file "config-T-Fe.xyz") ----------------------------------------------------------------------------------------------------- Energy = -2.8025143964956034 Forces: 1 -5.34259516e+00 -5.58284573e+00 -8.66926910e+00 2 -5.51118880e+00 9.29800556e+00 -5.22872961e+00 3 1.83244201e+00 -6.64801638e+00 5.16254570e+00 4 -4.75130818e+00 5.38941934e+00 3.12182955e+00 5 -1.32817315e-01 -1.55009208e+01 -2.72772490e+00 6 9.96344673e+00 7.58333526e+00 -7.91993323e+00 7 5.60022814e+00 -2.42570445e+01 -1.98461996e+01 8 -1.13112670e+01 -1.13616021e+01 -4.00329793e+00 9 -2.40178227e+00 -1.13410898e+01 -1.24021422e+01 10 -3.70569601e+00 1.03798513e+01 -1.38091878e+01 11 -7.64290822e+00 -6.42140605e+00 -9.68929420e+00 12 -8.27488007e+00 1.05425078e+01 1.05358033e+01 13 -9.40124849e+00 -1.09246118e+01 -3.25034928e+01 14 5.83844063e+00 7.58673263e+00 -4.92062466e+00 15 3.05583454e+01 -9.76230565e+00 3.88008891e+00 16 2.99108838e+00 2.49399129e+01 7.90446565e+00 17 -9.38993418e+00 -6.53124123e+00 -4.79684320e+00 18 4.00705602e+00 2.32349313e+00 2.11027991e+00 19 4.32362382e+00 -7.62752648e+00 5.94902354e+00 20 -3.59372652e+00 5.22180237e+00 5.39546513e+00 21 -9.80161143e+00 -7.98796992e+00 6.61320675e+00 22 1.65936256e+01 1.81404459e+01 1.97107030e+01 23 2.12632691e+00 -5.69721743e-01 3.44198035e+00 24 1.34940653e+00 1.70139749e+00 2.94038792e+00 25 -1.71175632e+01 -5.27354470e+00 -4.92752505e+00 26 -4.93106997e+00 1.89231618e+01 -5.38107386e+00 27 1.35666913e+01 -2.62222171e+01 1.37893507e+01 28 -2.21820958e+01 2.15209731e+01 7.24816858e+00 29 -1.57423388e+00 -6.89308671e+00 1.16827740e+01 30 8.14778610e+00 1.33919099e+01 8.02727890e+00 31 1.24417038e+01 -4.84169367e+00 7.52354547e+00 32 7.72571513e+00 1.08038960e+01 1.17884408e+01 MONOATOMIC STRUCTURE (pbc=False)-- Species = N (Configuration in file "config-F-N.xyz") ----------------------------------------------------------------------------------------------------- Energy = 96.64360343777969 Forces: 1 -1.18314201e+01 -4.59629493e+00 3.23990440e+00 2 2.58096202e+01 1.33458785e+01 3.67228899e+01 3 -8.22030041e+00 -5.46176498e+00 -8.61952249e+00 4 -9.26099136e+00 -1.41836280e+01 -3.01922060e+01 5 1.51919484e+01 3.80334289e+00 1.71122791e+01 6 3.51507261e+00 -4.70486475e-01 -8.64849293e+00 7 -4.05587237e+00 -2.11832537e+01 -3.97504662e+00 8 5.71166376e-02 -1.18283910e+01 -1.77899195e+01 9 -3.82302549e+00 2.55466799e+00 -4.22447633e+00 10 2.53383549e+00 1.08477785e+00 -1.19351751e+01 11 -8.80769467e+00 2.47465870e+01 -3.05191732e+01 12 -3.49276515e+00 -9.17364804e+00 1.46621742e+01 13 -8.66353429e+00 2.32347048e+01 -1.90967246e+00 14 5.46380019e-01 4.50544957e+00 -6.79427351e+00 15 -5.82034658e+00 -4.52758178e+00 3.55893429e+00 16 3.92338016e+00 5.29073291e+00 -3.68665535e+00 17 -3.08106340e+00 -1.66415819e+00 -3.49562767e-01 18 2.76780959e+01 1.02020560e+01 4.48943105e+01 19 -7.22983983e-01 -2.99826466e-01 3.88149704e+00 20 -6.51724033e+00 -8.01340391e+00 1.93055756e-01 21 -6.88931864e+00 -1.31554656e+01 1.27162333e+01 22 1.57739928e+01 3.51804212e+00 1.60673186e+01 23 7.16738154e+00 -3.95260223e+00 -6.77696788e-01 24 1.73349636e+00 -1.93265631e+00 -1.72042461e+01 25 -5.00476372e+00 1.22984605e+01 -1.32532756e+00 26 1.85121493e+00 1.68237281e+01 -5.54461565e+00 27 -7.04968098e+00 -5.48958619e+00 1.48986396e+01 28 1.07064865e+01 -5.14454994e+00 -1.75659605e+00 29 -3.64662844e+01 -2.24099803e+01 -1.75127936e+01 30 6.94628675e+00 3.62607158e+00 1.21114009e+01 31 8.88854238e+00 -5.92238528e-01 -2.53792219e+00 32 -2.61556494e+00 9.04501669e+00 -4.85526330e+00 MONOATOMIC STRUCTURE (pbc=True)-- Species = N (Configuration in file "config-T-N.xyz") ----------------------------------------------------------------------------------------------------- Energy = 96.64360343777969 Forces: 1 -1.18314201e+01 -4.59629493e+00 3.23990440e+00 2 2.58096202e+01 1.33458785e+01 3.67228899e+01 3 -8.22030041e+00 -5.46176498e+00 -8.61952249e+00 4 -9.26099136e+00 -1.41836280e+01 -3.01922060e+01 5 1.51919484e+01 3.80334289e+00 1.71122791e+01 6 3.51507261e+00 -4.70486475e-01 -8.64849293e+00 7 -4.05587237e+00 -2.11832537e+01 -3.97504662e+00 8 5.71166376e-02 -1.18283910e+01 -1.77899195e+01 9 -3.82302549e+00 2.55466799e+00 -4.22447633e+00 10 2.53383549e+00 1.08477785e+00 -1.19351751e+01 11 -8.80769467e+00 2.47465870e+01 -3.05191732e+01 12 -3.49276515e+00 -9.17364804e+00 1.46621742e+01 13 -8.66353429e+00 2.32347048e+01 -1.90967246e+00 14 5.46380019e-01 4.50544957e+00 -6.79427351e+00 15 -5.82034658e+00 -4.52758178e+00 3.55893429e+00 16 3.92338016e+00 5.29073291e+00 -3.68665535e+00 17 -3.08106340e+00 -1.66415819e+00 -3.49562767e-01 18 2.76780959e+01 1.02020560e+01 4.48943105e+01 19 -7.22983983e-01 -2.99826466e-01 3.88149704e+00 20 -6.51724033e+00 -8.01340391e+00 1.93055756e-01 21 -6.88931864e+00 -1.31554656e+01 1.27162333e+01 22 1.57739928e+01 3.51804212e+00 1.60673186e+01 23 7.16738154e+00 -3.95260223e+00 -6.77696788e-01 24 1.73349636e+00 -1.93265631e+00 -1.72042461e+01 25 -5.00476372e+00 1.22984605e+01 -1.32532756e+00 26 1.85121493e+00 1.68237281e+01 -5.54461565e+00 27 -7.04968098e+00 -5.48958619e+00 1.48986396e+01 28 1.07064865e+01 -5.14454994e+00 -1.75659605e+00 29 -3.64662844e+01 -2.24099803e+01 -1.75127936e+01 30 6.94628675e+00 3.62607158e+00 1.21114009e+01 31 8.88854238e+00 -5.92238528e-01 -2.53792219e+00 32 -2.61556494e+00 9.04501669e+00 -4.85526330e+00 MIXED STRUCTURE (pbc=False)-- Species = Fe N (Configuration in file "config-F-FeN.xyz") ----------------------------------------------------------------------------------------------------- Energy = -2.6056239713943947 Forces: 1 -1.97690727e+01 -4.36672485e+01 -3.64528191e+00 2 2.27493050e+01 1.34637953e+01 7.50239946e+00 3 -2.19740031e+01 2.50666131e+01 -3.35503235e+01 4 -1.18244222e+01 1.61784874e+01 7.25826304e+00 5 5.45659786e+00 -1.15788773e+01 -1.53822058e+00 6 3.68741083e+00 -6.41620162e-01 -3.30387292e+00 7 -5.88514734e-01 -1.63376081e+00 -1.13844713e+00 8 3.34286053e+00 -1.16395261e+01 -1.83611309e+00 9 -9.77670112e+00 -1.53839167e+01 -5.89538774e+00 10 1.10250674e+01 1.40591481e+01 -7.98814038e+00 11 -6.09101228e+00 6.01179296e+00 3.19518515e+00 12 -4.83598592e+00 4.39391019e+00 1.08405386e+01 13 2.06891321e+00 6.02152224e+00 -1.12170047e+01 14 3.43572880e+00 2.27314201e+00 -5.92301870e+00 15 1.46038559e+00 1.73600666e+00 5.36366104e+00 16 -1.02497881e+00 2.36576660e+00 4.18156315e+00 17 -6.90951458e+00 -7.34588023e+00 -1.86355176e+00 18 7.05879127e+00 -2.13016164e+01 -1.69025855e+01 19 2.54931052e-01 -3.29710625e+00 1.19365120e+01 20 4.48681349e-02 -3.73736027e-01 4.05918144e+00 21 1.79523675e+01 3.79509879e+00 1.90836865e+01 22 1.96537826e+01 -1.92872092e+00 -1.32268477e+01 23 2.22060091e+00 1.84773583e+00 2.12639853e+00 24 -1.41414739e+01 -7.14195658e+00 1.70128509e+01 25 7.61157539e+00 1.93488745e+01 1.34696848e+01 26 5.34723029e+00 1.10304298e+01 -1.92450445e+01 27 2.05654267e+00 -2.00696264e+01 6.86412902e+00 28 -1.94949966e+01 4.94451029e+00 2.49340456e+00 29 -1.07842815e+00 9.00019189e+00 6.09952778e+00 30 1.62591346e+00 8.14835359e+00 -7.07468609e+00 31 1.98647123e+00 -3.46337100e+00 1.08959381e+01 32 -1.53023974e+00 -2.18415853e-01 1.96560221e+00 MIXED STRUCTURE (pbc=True)-- Species = Fe N (Configuration in file "config-T-FeN.xyz") ----------------------------------------------------------------------------------------------------- Energy = 33.002855557691035 Forces: 1 -1.66498991e+01 -4.10444233e+01 2.17054317e+00 2 2.57783650e+01 1.18497916e+01 1.57713165e+01 3 -2.05798144e+01 3.95444078e+01 -3.63996746e+01 4 -1.18295395e+01 2.08552854e+01 6.43648343e+00 5 -4.44144683e+00 -9.80239288e+00 8.11343815e+00 6 -5.89179445e-01 -1.95693296e+00 -6.23531421e+00 7 -1.34045654e+00 -8.83637116e-01 -7.22831750e-01 8 2.08117749e+00 -9.78296369e+00 -5.75120244e-01 9 -1.09615234e+01 -1.59278450e+01 -5.15229780e+00 10 9.15767145e+00 1.04536205e+01 -8.92592641e+00 11 -6.29878853e+00 5.48337189e+00 3.90959260e+00 12 -4.18473563e+00 6.68101890e-03 9.70416453e+00 13 1.28705935e+00 6.42013113e+00 -1.00660031e+01 14 6.19103917e+00 -3.74274029e+00 -3.57487387e+00 15 -3.32674730e-01 1.35789596e+00 1.13758977e+00 16 -4.88019689e+00 9.03915988e-02 4.01346979e+00 17 -4.68176101e+00 -3.94293136e+00 5.45588814e-01 18 7.19949931e+00 -2.22698548e+01 -1.93521171e+01 19 7.15784354e+00 1.29108731e+01 6.00767581e+00 20 2.34452856e+00 -5.47346311e+00 7.31923364e+00 21 6.67351502e+00 -5.40253923e+00 1.92370704e+01 22 1.65452788e+01 -6.69133204e-01 -1.60984771e+01 23 1.09771935e+01 5.72181504e+00 -6.21419519e+00 24 -1.40141541e+01 -7.98064882e+00 1.71178151e+01 25 1.55841502e+01 2.21559658e+01 1.77607221e+01 26 1.00718057e+01 1.65426789e+00 -1.59778450e+01 27 4.11145168e+00 -2.23572755e+01 2.21475985e+00 28 -2.42829760e+01 -5.52777761e+00 -3.69392811e+00 29 -1.56771222e+00 8.63943487e+00 5.29403592e+00 30 7.37863295e-01 9.44058181e+00 -4.79859591e+00 31 -4.77201285e-01 -2.13548030e+00 1.21707965e+01 32 1.21361763e+00 2.31552378e+00 -1.13709570e+00 ERROR: Unable to perform verification check. Message = Failed to run valgrind; check that it is installed. === Verification check vc-memory-leak end (2022-11-29 20:37:12) ===