!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!! !!!!! !!!!! 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 : DUNN_WenTadmor_2019v3_C__MO_714772088128_000 Supported species : C random seed = 13 lattice constant (orig) = 3.000 perturbation amplitude = 0.300 number unit cells per side = 2 ----------------------------------------------------------------------------------------------------- MONOATOMIC STRUCTURE (pbc=False)-- Species = C (Configuration in file "config-F-C.xyz") ----------------------------------------------------------------------------------------------------- Energy = -230.6810818408382 Forces: 1 -6.23745664e-02 -3.66298858e-02 -3.56892774e-02 2 2.47564453e-02 2.31779186e-03 -9.87291301e-02 3 -1.38234398e-03 -9.82801505e-02 -8.57311916e-04 4 -1.07540460e-01 -2.19646501e-03 -1.84266702e-02 5 2.38785822e-02 -7.15416273e-02 -4.52505321e-02 6 9.64113361e-02 -1.80574586e-02 -8.40170572e-02 7 -3.96087042e-02 6.07483114e-02 1.38937471e-02 8 -5.61738799e-03 7.57216828e-02 4.58192652e-02 9 -4.90226756e-02 3.56920844e-03 -9.14865916e-02 10 2.79518039e-02 7.69676183e-02 -4.16274985e-02 11 9.95737245e-02 -1.77356724e-02 5.20879742e-02 12 -8.80702800e-02 8.51313605e-02 3.12276156e-04 13 1.51210006e-02 -9.57509532e-03 3.44024653e-02 14 3.84111011e-02 3.37665763e-02 -4.73484669e-02 15 -3.58369106e-02 -1.10218595e-02 -1.29588621e-02 16 -2.91404177e-02 -1.63419335e-02 2.07357678e-02 17 -1.08988168e-01 -8.86527103e-02 9.17993834e-04 18 9.00821767e-02 5.13689543e-02 -6.23863611e-02 19 5.21378211e-02 -9.71669172e-02 8.74600377e-02 20 -1.11994237e-01 3.31215614e-02 1.03296611e-01 21 9.72699926e-03 -7.55028143e-02 -3.82479259e-03 22 8.93169542e-02 -2.00926309e-02 2.89499988e-03 23 4.08975994e-02 -3.00939345e-02 2.77856121e-02 24 1.31807474e-02 4.68168175e-04 6.72804590e-02 25 -7.58200390e-02 -2.07421109e-03 -3.69255646e-02 26 7.84772873e-02 -1.95635889e-02 -4.31524634e-02 27 7.05947748e-02 3.25138556e-02 3.74464730e-02 28 -1.37528531e-01 8.23835121e-02 1.00382235e-01 29 -2.44702561e-02 -2.94694740e-02 -7.63203067e-02 30 7.30493421e-02 5.61564248e-02 2.46020309e-03 31 2.91424905e-02 2.06835231e-02 4.07885239e-02 32 4.68478996e-03 2.90778800e-02 6.10362423e-02 MONOATOMIC STRUCTURE (pbc=True)-- Species = C (Configuration in file "config-T-C.xyz") ----------------------------------------------------------------------------------------------------- Energy = -230.6810818408382 Forces: 1 -6.23745664e-02 -3.66298858e-02 -3.56892774e-02 2 2.47564453e-02 2.31779186e-03 -9.87291301e-02 3 -1.38234398e-03 -9.82801505e-02 -8.57311916e-04 4 -1.07540460e-01 -2.19646501e-03 -1.84266702e-02 5 2.38785822e-02 -7.15416273e-02 -4.52505321e-02 6 9.64113361e-02 -1.80574586e-02 -8.40170572e-02 7 -3.96087042e-02 6.07483114e-02 1.38937471e-02 8 -5.61738799e-03 7.57216828e-02 4.58192652e-02 9 -4.90226756e-02 3.56920844e-03 -9.14865916e-02 10 2.79518039e-02 7.69676183e-02 -4.16274985e-02 11 9.95737245e-02 -1.77356724e-02 5.20879742e-02 12 -8.80702800e-02 8.51313605e-02 3.12276156e-04 13 1.51210006e-02 -9.57509532e-03 3.44024653e-02 14 3.84111011e-02 3.37665763e-02 -4.73484669e-02 15 -3.58369106e-02 -1.10218595e-02 -1.29588621e-02 16 -2.91404177e-02 -1.63419335e-02 2.07357678e-02 17 -1.08988168e-01 -8.86527103e-02 9.17993834e-04 18 9.00821767e-02 5.13689543e-02 -6.23863611e-02 19 5.21378211e-02 -9.71669172e-02 8.74600377e-02 20 -1.11994237e-01 3.31215614e-02 1.03296611e-01 21 9.72699926e-03 -7.55028143e-02 -3.82479259e-03 22 8.93169542e-02 -2.00926309e-02 2.89499988e-03 23 4.08975994e-02 -3.00939345e-02 2.77856121e-02 24 1.31807474e-02 4.68168175e-04 6.72804590e-02 25 -7.58200390e-02 -2.07421109e-03 -3.69255646e-02 26 7.84772873e-02 -1.95635889e-02 -4.31524634e-02 27 7.05947748e-02 3.25138556e-02 3.74464730e-02 28 -1.37528531e-01 8.23835121e-02 1.00382235e-01 29 -2.44702561e-02 -2.94694740e-02 -7.63203067e-02 30 7.30493421e-02 5.61564248e-02 2.46020309e-03 31 2.91424905e-02 2.06835231e-02 4.07885239e-02 32 4.68478996e-03 2.90778800e-02 6.10362423e-02 ERROR: Unable to perform verification check. Message = Failed to run valgrind; check that it is installed.