!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!! !!!!! !!!!! 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_FortiniMendelevBuldyrev_2008_Ru__MO_114077951467_005 Supported species : Ru random seed = 13 lattice constant (orig) = 3.000 perturbation amplitude = 0.300 number unit cells per side = 2 ----------------------------------------------------------------------------------------------------- MONOATOMIC STRUCTURE (pbc=False)-- Species = Ru (Configuration in file "config-F-Ru.xyz") ----------------------------------------------------------------------------------------------------- Energy = 177.34809625980327 Forces: 1 -1.72362659e+01 -5.42895921e+01 -5.68673410e+01 2 -4.93881708e+01 2.70528504e+00 -7.89783001e+01 3 2.20372507e+01 -5.61497427e+01 -2.51829744e+01 4 -5.23375214e+01 2.47601188e+01 2.26373644e+01 5 2.06086122e+01 -8.85819525e+01 -2.51617679e+01 6 4.27030890e+01 -1.97162915e+01 -4.97530715e+01 7 6.09501391e+01 -1.21934867e+02 -6.50803245e+01 8 2.82076642e+01 -1.81275404e+02 -4.87587822e+01 9 -4.18654664e+01 7.63465245e-01 -5.31001647e+01 10 -3.87692416e+01 6.19855808e+01 -8.31729595e+01 11 -1.42229947e+02 2.51224623e+01 -6.11950084e+01 12 -4.00627131e+01 3.74245534e+01 -1.37544584e+00 13 -1.00676598e+01 2.97298822e+01 -2.15085185e+02 14 2.33401152e+01 3.01340870e+01 -2.55014358e+01 15 2.13002293e+02 7.06689552e+01 6.75938001e+00 16 3.17733818e+01 1.51489385e+02 2.90044005e+00 17 -6.42052042e+01 -1.42419313e+01 3.77465932e+01 18 -5.66821985e+01 -5.40575969e+01 6.01056610e+01 19 -5.12623889e+00 -2.21811342e+01 1.97830213e+01 20 -1.44689584e+01 -5.14936337e-01 1.50729702e+01 21 -1.18107024e+01 -6.54934288e+01 4.54772323e+01 22 9.84643722e+01 4.53547788e-01 7.48531348e+01 23 1.27910689e+01 -1.00097214e+01 1.47774342e+01 24 1.45939906e+00 -2.63551983e+01 5.97495785e+01 25 -8.44400577e+01 9.39070996e+00 2.80103485e+01 26 -4.30057231e+01 1.02148987e+02 1.99373182e+01 27 5.19519935e+01 -8.70953117e+01 4.55616084e+01 28 -9.48494352e+01 9.43877954e+01 2.03129354e+01 29 2.80635514e+01 6.72976904e+01 1.49273052e+02 30 5.27059899e+01 6.16184212e+01 5.89302546e+00 31 7.38495542e+01 -1.40150790e+01 8.87050785e+01 32 4.63702913e+00 4.58312612e+01 7.16565843e+01 MONOATOMIC STRUCTURE (pbc=True)-- Species = Ru (Configuration in file "config-T-Ru.xyz") ----------------------------------------------------------------------------------------------------- Energy = 177.34809625980327 Forces: 1 -1.72362659e+01 -5.42895921e+01 -5.68673410e+01 2 -4.93881708e+01 2.70528504e+00 -7.89783001e+01 3 2.20372507e+01 -5.61497427e+01 -2.51829744e+01 4 -5.23375214e+01 2.47601188e+01 2.26373644e+01 5 2.06086122e+01 -8.85819525e+01 -2.51617679e+01 6 4.27030890e+01 -1.97162915e+01 -4.97530715e+01 7 6.09501391e+01 -1.21934867e+02 -6.50803245e+01 8 2.82076642e+01 -1.81275404e+02 -4.87587822e+01 9 -4.18654664e+01 7.63465245e-01 -5.31001647e+01 10 -3.87692416e+01 6.19855808e+01 -8.31729595e+01 11 -1.42229947e+02 2.51224623e+01 -6.11950084e+01 12 -4.00627131e+01 3.74245534e+01 -1.37544584e+00 13 -1.00676598e+01 2.97298822e+01 -2.15085185e+02 14 2.33401152e+01 3.01340870e+01 -2.55014358e+01 15 2.13002293e+02 7.06689552e+01 6.75938001e+00 16 3.17733818e+01 1.51489385e+02 2.90044005e+00 17 -6.42052042e+01 -1.42419313e+01 3.77465932e+01 18 -5.66821985e+01 -5.40575969e+01 6.01056610e+01 19 -5.12623889e+00 -2.21811342e+01 1.97830213e+01 20 -1.44689584e+01 -5.14936337e-01 1.50729702e+01 21 -1.18107024e+01 -6.54934288e+01 4.54772323e+01 22 9.84643722e+01 4.53547788e-01 7.48531348e+01 23 1.27910689e+01 -1.00097214e+01 1.47774342e+01 24 1.45939906e+00 -2.63551983e+01 5.97495785e+01 25 -8.44400577e+01 9.39070996e+00 2.80103485e+01 26 -4.30057231e+01 1.02148987e+02 1.99373182e+01 27 5.19519935e+01 -8.70953117e+01 4.55616084e+01 28 -9.48494352e+01 9.43877954e+01 2.03129354e+01 29 2.80635514e+01 6.72976904e+01 1.49273052e+02 30 5.27059899e+01 6.16184212e+01 5.89302546e+00 31 7.38495542e+01 -1.40150790e+01 8.87050785e+01 32 4.63702913e+00 4.58312612e+01 7.16565843e+01 ERROR: Unable to perform verification check. Message = [Errno 12] Cannot allocate memory