!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!! !!!!! !!!!! 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 : TIDP_RajanWarnerCurtin_2016E_User01__MO_971845881377_001 Supported species : user01 random seed = 13 lattice constant (orig) = 3.000 perturbation amplitude = 0.300 number unit cells per side = 2 ----------------------------------------------------------------------------------------------------- MONOATOMIC STRUCTURE (pbc=False)-- Species = user01 (Configuration in file "config-F-user01.xyz") ----------------------------------------------------------------------------------------------------- Energy = 2007.4977618094215 Forces: 1 -2.73693953e+02 -1.14480007e+03 -1.39746585e+03 2 -2.83737943e+03 8.03000887e+02 -3.55772899e+02 3 1.23452508e+02 -1.65450037e+02 7.29797540e+01 4 1.62827771e+02 1.30347516e+03 1.32527816e+03 5 2.83973090e+03 -7.95304157e+02 3.57289809e+02 6 -6.52256718e+00 -5.19941217e-01 5.40230605e+00 7 1.57218537e+02 8.74444857e+02 -2.87049224e+03 8 -4.42928371e+02 -1.49313873e+03 8.61659567e+01 9 -1.51529679e+03 -6.83618425e+02 -3.68792686e+02 10 1.46844712e+03 7.52305857e+02 2.75074882e+02 11 3.61051073e+01 -6.67248886e+01 7.64177118e+01 12 4.79929067e+00 -4.26225153e+00 4.07929294e+00 13 -1.83602582e+03 -1.03491118e+03 -8.51131049e+02 14 1.16331752e+03 1.15871387e+03 -4.25158369e+02 15 1.29101228e+03 1.22587092e+03 9.46233960e+02 16 -1.71974803e+02 1.10573004e+02 2.29037705e+02 17 -5.26540240e+02 -3.39660596e+02 1.61337970e+02 18 5.23258259e+02 3.48302815e+02 -1.59844589e+02 19 3.28499812e+03 -1.87532226e+03 7.90134567e+02 20 -3.28423725e+03 1.87930318e+03 -7.89580552e+02 21 -6.23253787e+02 -1.22050137e+03 2.42114863e+03 22 4.32444214e+02 3.36384674e+02 3.55699510e+02 23 2.29248853e+01 1.54241434e+01 8.70307190e+01 24 3.14034977e-01 -4.94011196e+00 -1.09049465e+00 25 1.88421244e+00 1.76792489e+00 -7.81991961e+00 26 -2.72076350e+02 1.86867496e+02 -1.28138854e+02 27 2.21095185e+03 -1.79344781e+03 -3.68102723e+02 28 -2.23403093e+03 1.76372202e+03 3.95510486e+02 29 -5.75770251e+02 -3.06872206e+03 -7.18050635e+03 30 4.63107614e+02 6.75633357e+02 -7.94885435e+02 31 4.28623194e+02 -5.21848614e+02 6.77068583e+02 32 -1.56868767e+01 2.77738235e+03 7.43289200e+03 MONOATOMIC STRUCTURE (pbc=True)-- Species = user01 (Configuration in file "config-T-user01.xyz") ----------------------------------------------------------------------------------------------------- Energy = 2007.4977618094215 Forces: 1 -2.73693953e+02 -1.14480007e+03 -1.39746585e+03 2 -2.83737943e+03 8.03000887e+02 -3.55772899e+02 3 1.23452508e+02 -1.65450037e+02 7.29797540e+01 4 1.62827771e+02 1.30347516e+03 1.32527816e+03 5 2.83973090e+03 -7.95304157e+02 3.57289809e+02 6 -6.52256718e+00 -5.19941217e-01 5.40230605e+00 7 1.57218537e+02 8.74444857e+02 -2.87049224e+03 8 -4.42928371e+02 -1.49313873e+03 8.61659567e+01 9 -1.51529679e+03 -6.83618425e+02 -3.68792686e+02 10 1.46844712e+03 7.52305857e+02 2.75074882e+02 11 3.61051073e+01 -6.67248886e+01 7.64177118e+01 12 4.79929067e+00 -4.26225153e+00 4.07929294e+00 13 -1.83602582e+03 -1.03491118e+03 -8.51131049e+02 14 1.16331752e+03 1.15871387e+03 -4.25158369e+02 15 1.29101228e+03 1.22587092e+03 9.46233960e+02 16 -1.71974803e+02 1.10573004e+02 2.29037705e+02 17 -5.26540240e+02 -3.39660596e+02 1.61337970e+02 18 5.23258259e+02 3.48302815e+02 -1.59844589e+02 19 3.28499812e+03 -1.87532226e+03 7.90134567e+02 20 -3.28423725e+03 1.87930318e+03 -7.89580552e+02 21 -6.23253787e+02 -1.22050137e+03 2.42114863e+03 22 4.32444214e+02 3.36384674e+02 3.55699510e+02 23 2.29248853e+01 1.54241434e+01 8.70307190e+01 24 3.14034977e-01 -4.94011196e+00 -1.09049465e+00 25 1.88421244e+00 1.76792489e+00 -7.81991961e+00 26 -2.72076350e+02 1.86867496e+02 -1.28138854e+02 27 2.21095185e+03 -1.79344781e+03 -3.68102723e+02 28 -2.23403093e+03 1.76372202e+03 3.95510486e+02 29 -5.75770251e+02 -3.06872206e+03 -7.18050635e+03 30 4.63107614e+02 6.75633357e+02 -7.94885435e+02 31 4.28623194e+02 -5.21848614e+02 6.77068583e+02 32 -1.56868767e+01 2.77738235e+03 7.43289200e+03 ERROR: Unable to perform verification check. Message = Failed to run valgrind; check that it is installed.