!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!! !!!!! !!!!! 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 : EAM_Dynamo_MendelevUnderwoodAckland_2016pot1_Ti__MO_143373446649_000 Supported species : Ti random seed = 13 lattice constant (orig) = 3.000 perturbation amplitude = 0.300 number unit cells per side = 2 ----------------------------------------------------------------------------------------------------- MONOATOMIC STRUCTURE (pbc=False)-- Species = Ti (Configuration in file "config-F-Ti.xyz") ----------------------------------------------------------------------------------------------------- Energy = 1912.805220395658 Forces: 1 -7.54038093e+01 -8.98945571e+01 -7.69863878e+01 2 -1.34693444e+02 -1.93835947e+02 -4.17493356e+02 3 -1.30575568e+02 -3.17748238e+02 -5.94228719e+01 4 -3.15739153e+02 -1.13915307e+02 -6.40588495e+01 5 1.59386274e+01 -2.82054912e+02 -1.99833194e+02 6 1.85918344e+02 -1.20699388e+02 -2.32510379e+02 7 2.74531902e+02 -4.54607163e+02 -8.65297304e+01 8 3.06592156e+02 -7.74021336e+02 -3.88201608e+02 9 -2.50499920e+02 2.94833907e+01 -2.91008231e+02 10 -1.42348513e+02 3.41261645e+02 -3.51780325e+02 11 -7.83794621e+02 4.07288896e+01 -3.70364748e+02 12 -2.58838360e+02 2.03451227e+02 -5.86241737e+01 13 2.06234000e+02 1.58161450e+02 -8.72841389e+02 14 1.80661659e+02 1.78313633e+02 -1.67546395e+02 15 9.30808219e+02 2.15764680e+02 -2.53454128e+02 16 9.67958641e+01 9.75454507e+02 -2.03700649e+02 17 -1.55858627e+02 -1.16369228e+02 4.43848267e+00 18 -3.59680313e+02 -3.66543133e+02 3.35969707e+02 19 -1.48508534e+01 -1.45005477e+02 1.39076780e+02 20 -1.14917086e+02 -3.70929882e+00 1.19118428e+02 21 2.03497962e+01 -3.87143721e+02 1.83983039e+02 22 4.96665515e+02 -1.53117468e+02 2.32282234e+02 23 7.65278971e+01 -8.27654443e+01 1.08715296e+02 24 3.29081394e+01 -1.36066542e+02 3.48064283e+02 25 -5.04067612e+02 9.03044057e+01 1.86960646e+02 26 -2.90931428e+02 5.95429291e+02 2.28395024e+02 27 -1.93420589e+02 -1.89890496e+01 3.73575235e+02 28 -1.28991029e+02 9.06120926e+01 9.14970385e+01 29 3.08420050e+02 2.46050761e+02 8.36353854e+02 30 3.54907789e+02 3.20331264e+02 1.28114780e+02 31 3.25630510e+02 2.89599173e+01 3.98505487e+02 32 4.17204580e+01 2.42179057e+02 3.79306103e+02 MONOATOMIC STRUCTURE (pbc=True)-- Species = Ti (Configuration in file "config-T-Ti.xyz") ----------------------------------------------------------------------------------------------------- Energy = 1912.805220395658 Forces: 1 -7.54038093e+01 -8.98945571e+01 -7.69863878e+01 2 -1.34693444e+02 -1.93835947e+02 -4.17493356e+02 3 -1.30575568e+02 -3.17748238e+02 -5.94228719e+01 4 -3.15739153e+02 -1.13915307e+02 -6.40588495e+01 5 1.59386274e+01 -2.82054912e+02 -1.99833194e+02 6 1.85918344e+02 -1.20699388e+02 -2.32510379e+02 7 2.74531902e+02 -4.54607163e+02 -8.65297304e+01 8 3.06592156e+02 -7.74021336e+02 -3.88201608e+02 9 -2.50499920e+02 2.94833907e+01 -2.91008231e+02 10 -1.42348513e+02 3.41261645e+02 -3.51780325e+02 11 -7.83794621e+02 4.07288896e+01 -3.70364748e+02 12 -2.58838360e+02 2.03451227e+02 -5.86241737e+01 13 2.06234000e+02 1.58161450e+02 -8.72841389e+02 14 1.80661659e+02 1.78313633e+02 -1.67546395e+02 15 9.30808219e+02 2.15764680e+02 -2.53454128e+02 16 9.67958641e+01 9.75454507e+02 -2.03700649e+02 17 -1.55858627e+02 -1.16369228e+02 4.43848267e+00 18 -3.59680313e+02 -3.66543133e+02 3.35969707e+02 19 -1.48508534e+01 -1.45005477e+02 1.39076780e+02 20 -1.14917086e+02 -3.70929882e+00 1.19118428e+02 21 2.03497962e+01 -3.87143721e+02 1.83983039e+02 22 4.96665515e+02 -1.53117468e+02 2.32282234e+02 23 7.65278971e+01 -8.27654443e+01 1.08715296e+02 24 3.29081394e+01 -1.36066542e+02 3.48064283e+02 25 -5.04067612e+02 9.03044057e+01 1.86960646e+02 26 -2.90931428e+02 5.95429291e+02 2.28395024e+02 27 -1.93420589e+02 -1.89890496e+01 3.73575235e+02 28 -1.28991029e+02 9.06120926e+01 9.14970385e+01 29 3.08420050e+02 2.46050761e+02 8.36353854e+02 30 3.54907789e+02 3.20331264e+02 1.28114780e+02 31 3.25630510e+02 2.89599173e+01 3.98505487e+02 32 4.17204580e+01 2.42179057e+02 3.79306103e+02 ERROR: Unable to perform verification check. Message = Failed to run valgrind; check that it is installed.