!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!! !!!!! !!!!! 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_ParkFellingerLenosky_2012_Mo__MO_269937397263_001 Supported species : Mo random seed = 13 lattice constant (orig) = 3.000 perturbation amplitude = 0.300 number unit cells per side = 2 ----------------------------------------------------------------------------------------------------- MONOATOMIC STRUCTURE (pbc=False)-- Species = Mo (Configuration in file "config-F-Mo.xyz") ----------------------------------------------------------------------------------------------------- Energy = 98.23716757390639 Forces: 1 -6.51538664e+00 -8.05659808e+00 -9.84327538e+00 2 -1.95135277e+00 -3.91475534e+00 -2.33961031e+01 3 5.81825105e+00 -1.85054762e+01 -3.37312036e+00 4 -2.06203203e+01 -7.06834890e-01 5.10767056e+00 5 -4.69566715e+00 -1.98570835e+01 -1.45602594e+01 6 1.73768810e+01 3.27313101e+00 -2.04872265e+01 7 1.42173576e+01 -1.44039216e+01 4.44027056e+00 8 -3.08642959e+00 -5.37847427e+00 4.56842846e+00 9 -1.23927821e+01 -2.41391803e-01 -2.00115870e+01 10 1.33406000e+00 2.49591510e+01 -1.36067758e+01 11 -6.90818063e+00 -9.71734098e+00 2.94033690e+00 12 -1.91190823e+01 1.70171390e+01 3.45543795e+00 13 1.14229465e+01 -5.97688111e+00 -2.37153379e+01 14 1.48487087e+01 1.77493015e+01 -1.49536134e+01 15 1.95389031e+01 -5.15486291e+00 -1.72772819e+00 16 -7.20514993e+00 2.56967623e+01 -2.95178239e+00 17 -2.50118972e+01 -1.36615286e+01 -5.80980311e+00 18 5.77080772e+00 9.14645773e+00 -2.09173098e+00 19 7.62390430e+00 -2.00328820e+01 1.75772491e+01 20 -1.43757846e+01 1.22735114e+01 1.55144100e+01 21 -1.01142418e+01 -2.13518224e+01 2.87084322e+00 22 2.49690923e+01 7.12654939e+00 2.38046236e+00 23 8.84542373e+00 -6.09130017e+00 1.28346662e+01 24 1.10674192e+00 8.09015226e-01 1.50306040e+01 25 -1.78509002e+01 -5.36272472e+00 2.61024190e+00 26 4.97708172e+00 2.48847384e+01 -3.50705827e+00 27 -3.62521484e+00 -1.16187120e+01 1.88988243e+01 28 -1.52462979e+01 7.96017855e+00 9.35907194e+00 29 -1.63465645e+00 -1.26178556e+01 1.13700919e+01 30 1.49017158e+01 1.71984280e+01 1.24792008e+00 31 1.35060390e+01 -3.82339129e+00 1.21695485e+01 32 4.09542996e+00 1.83794739e+01 1.76593241e+01 MONOATOMIC STRUCTURE (pbc=True)-- Species = Mo (Configuration in file "config-T-Mo.xyz") ----------------------------------------------------------------------------------------------------- Energy = 98.23716757390639 Forces: 1 -6.51538664e+00 -8.05659808e+00 -9.84327538e+00 2 -1.95135277e+00 -3.91475534e+00 -2.33961031e+01 3 5.81825105e+00 -1.85054762e+01 -3.37312036e+00 4 -2.06203203e+01 -7.06834890e-01 5.10767056e+00 5 -4.69566715e+00 -1.98570835e+01 -1.45602594e+01 6 1.73768810e+01 3.27313101e+00 -2.04872265e+01 7 1.42173576e+01 -1.44039216e+01 4.44027056e+00 8 -3.08642959e+00 -5.37847427e+00 4.56842846e+00 9 -1.23927821e+01 -2.41391803e-01 -2.00115870e+01 10 1.33406000e+00 2.49591510e+01 -1.36067758e+01 11 -6.90818063e+00 -9.71734098e+00 2.94033690e+00 12 -1.91190823e+01 1.70171390e+01 3.45543795e+00 13 1.14229465e+01 -5.97688111e+00 -2.37153379e+01 14 1.48487087e+01 1.77493015e+01 -1.49536134e+01 15 1.95389031e+01 -5.15486291e+00 -1.72772819e+00 16 -7.20514993e+00 2.56967623e+01 -2.95178239e+00 17 -2.50118972e+01 -1.36615286e+01 -5.80980311e+00 18 5.77080772e+00 9.14645773e+00 -2.09173098e+00 19 7.62390430e+00 -2.00328820e+01 1.75772491e+01 20 -1.43757846e+01 1.22735114e+01 1.55144100e+01 21 -1.01142418e+01 -2.13518224e+01 2.87084322e+00 22 2.49690923e+01 7.12654939e+00 2.38046236e+00 23 8.84542373e+00 -6.09130017e+00 1.28346662e+01 24 1.10674192e+00 8.09015226e-01 1.50306040e+01 25 -1.78509002e+01 -5.36272472e+00 2.61024190e+00 26 4.97708172e+00 2.48847384e+01 -3.50705827e+00 27 -3.62521484e+00 -1.16187120e+01 1.88988243e+01 28 -1.52462979e+01 7.96017855e+00 9.35907194e+00 29 -1.63465645e+00 -1.26178556e+01 1.13700919e+01 30 1.49017158e+01 1.71984280e+01 1.24792008e+00 31 1.35060390e+01 -3.82339129e+00 1.21695485e+01 32 4.09542996e+00 1.83794739e+01 1.76593241e+01 ERROR: Unable to perform verification check. Message = [Errno 12] Cannot allocate memory