!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!! !!!!! !!!!! 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_2016A_User01__MO_514760222899_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 = 2002.1808828902247 Forces: 1 -2.75582853e+02 -1.14528309e+03 -1.39757685e+03 2 -2.83475647e+03 8.03853441e+02 -3.54107101e+02 3 1.25161856e+02 -1.64936959e+02 7.22146217e+01 4 1.61147584e+02 1.30484869e+03 1.32351742e+03 5 2.83565896e+03 -7.95052113e+02 3.58152532e+02 6 -4.90897045e+00 -7.26148874e-01 6.23197826e+00 7 1.59053353e+02 8.75108988e+02 -2.87081979e+03 8 -4.46454961e+02 -1.48864857e+03 8.73360828e+01 9 -1.51487184e+03 -6.83554146e+02 -3.68410373e+02 10 1.46709284e+03 7.52026560e+02 2.76138564e+02 11 3.74961676e+01 -6.81642875e+01 7.59443663e+01 12 5.14675980e+00 -2.94212349e+00 1.45104584e+00 13 -1.83742813e+03 -1.03535357e+03 -8.50899794e+02 14 1.16430652e+03 1.15889503e+03 -4.25989289e+02 15 1.29193594e+03 1.22565785e+03 9.44621941e+02 16 -1.71876410e+02 1.09443934e+02 2.31163930e+02 17 -5.27165664e+02 -3.40019580e+02 1.60715373e+02 18 5.23773478e+02 3.47127247e+02 -1.59605680e+02 19 3.28522601e+03 -1.87553547e+03 7.91050473e+02 20 -3.28350044e+03 1.87949688e+03 -7.90716466e+02 21 -6.23253787e+02 -1.22050137e+03 2.42114863e+03 22 4.34347294e+02 3.36306824e+02 3.55003458e+02 23 2.33064646e+01 1.36587725e+01 8.84713302e+01 24 -8.55603059e-02 -3.71298630e+00 -7.81140205e-01 25 1.04225611e+00 1.18711013e+00 -5.29912408e+00 26 -2.69000495e+02 1.87971419e+02 -1.30280118e+02 27 2.21051187e+03 -1.79355392e+03 -3.68129525e+02 28 -2.23515278e+03 1.76305952e+03 3.95476928e+02 29 -5.75550842e+02 -3.07037013e+03 -7.17833235e+03 30 4.60819085e+02 6.74075541e+02 -7.97331997e+02 31 4.28591084e+02 -5.21847316e+02 6.76854470e+02 32 -1.50283255e+01 2.77748397e+03 7.43278644e+03 MONOATOMIC STRUCTURE (pbc=True)-- Species = user01 (Configuration in file "config-T-user01.xyz") ----------------------------------------------------------------------------------------------------- Energy = 2002.1808828902247 Forces: 1 -2.75582853e+02 -1.14528309e+03 -1.39757685e+03 2 -2.83475647e+03 8.03853441e+02 -3.54107101e+02 3 1.25161856e+02 -1.64936959e+02 7.22146217e+01 4 1.61147584e+02 1.30484869e+03 1.32351742e+03 5 2.83565896e+03 -7.95052113e+02 3.58152532e+02 6 -4.90897045e+00 -7.26148874e-01 6.23197826e+00 7 1.59053353e+02 8.75108988e+02 -2.87081979e+03 8 -4.46454961e+02 -1.48864857e+03 8.73360828e+01 9 -1.51487184e+03 -6.83554146e+02 -3.68410373e+02 10 1.46709284e+03 7.52026560e+02 2.76138564e+02 11 3.74961676e+01 -6.81642875e+01 7.59443663e+01 12 5.14675980e+00 -2.94212349e+00 1.45104584e+00 13 -1.83742813e+03 -1.03535357e+03 -8.50899794e+02 14 1.16430652e+03 1.15889503e+03 -4.25989289e+02 15 1.29193594e+03 1.22565785e+03 9.44621941e+02 16 -1.71876410e+02 1.09443934e+02 2.31163930e+02 17 -5.27165664e+02 -3.40019580e+02 1.60715373e+02 18 5.23773478e+02 3.47127247e+02 -1.59605680e+02 19 3.28522601e+03 -1.87553547e+03 7.91050473e+02 20 -3.28350044e+03 1.87949688e+03 -7.90716466e+02 21 -6.23253787e+02 -1.22050137e+03 2.42114863e+03 22 4.34347294e+02 3.36306824e+02 3.55003458e+02 23 2.33064646e+01 1.36587725e+01 8.84713302e+01 24 -8.55603059e-02 -3.71298630e+00 -7.81140205e-01 25 1.04225611e+00 1.18711013e+00 -5.29912408e+00 26 -2.69000495e+02 1.87971419e+02 -1.30280118e+02 27 2.21051187e+03 -1.79355392e+03 -3.68129525e+02 28 -2.23515278e+03 1.76305952e+03 3.95476928e+02 29 -5.75550842e+02 -3.07037013e+03 -7.17833235e+03 30 4.60819085e+02 6.74075541e+02 -7.97331997e+02 31 4.28591084e+02 -5.21847316e+02 6.76854470e+02 32 -1.50283255e+01 2.77748397e+03 7.43278644e+03 ERROR: Unable to perform verification check. Message = Failed to run valgrind; check that it is installed.