Enter a model name: === Verification check vc-memory-leak start (2023-05-09 23:23:25) === !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!! !!!!! !!!!! 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_002 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 ERROR: Unable to perform verification check. Message = Calling kimpy function "create" failed: Unable to create a new KIM-API Model object! === Verification check vc-memory-leak end (2023-05-09 23:23:29) ===