!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!! !!!!! !!!!! 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 : MEAM_LAMMPS_LeeShimBaskes_2003_Cu__MO_087820130586_000 Supported species : Cu random seed = 13 lattice constant (orig) = 3.000 perturbation amplitude = 0.300 number unit cells per side = 2 ----------------------------------------------------------------------------------------------------- MONOATOMIC STRUCTURE (pbc=False)-- Species = Cu (Configuration in file "config-F-Cu.xyz") ----------------------------------------------------------------------------------------------------- Energy = 7.489464810723154 Forces: 1 -7.64672447e-01 -7.04805203e+00 -7.91470908e+00 2 -7.17519608e+00 9.14457610e+00 -3.06775360e+00 3 5.26928160e+00 -2.66189474e+00 -1.87162814e+00 4 -4.52445064e+00 5.19227903e+00 5.40281836e+00 5 4.90766435e+00 -1.39717826e+01 -1.64898202e+00 6 4.30146245e+00 4.86743105e+00 -3.55772802e+00 7 1.09045143e+01 -2.11234285e+01 -2.42635066e+01 8 -1.90806118e+01 -4.96813865e+00 -4.29260388e+00 9 -1.05358526e+01 -5.63991885e+00 -1.29721216e+01 10 -7.29680353e+00 1.98156100e+01 -1.75188951e+01 11 -3.69534496e+00 -1.60137864e+01 1.50306359e+01 12 -7.32928053e+00 1.13090322e+01 3.10946739e+00 13 -2.52831451e+00 -1.13722567e+01 -3.46467269e+01 14 4.83568061e+00 7.40917324e+00 -5.08466275e+00 15 3.14294828e+01 -9.42793906e+00 1.04661275e+01 16 5.20587835e+00 2.15611979e+01 1.14651707e+01 17 -1.18275086e+01 -6.97734292e+00 -5.09173994e+00 18 -3.35318103e+00 1.28091852e+01 -2.22737205e+01 19 3.01982753e+00 -1.63744276e+01 1.09497462e+01 20 -6.74440134e+00 7.57427073e+00 7.87929984e+00 21 -1.96108065e+01 -1.28348308e+01 1.25866418e+01 22 2.08180455e+01 1.75147060e+01 1.35985167e+01 23 5.69001822e+00 -1.01545253e+00 6.55565678e+00 24 1.40463958e+01 3.74185626e+00 1.34524977e+01 25 -3.30782854e+00 -7.93495751e+00 -7.48911377e-01 26 -3.40246066e+00 9.30939036e+00 -9.78513798e+00 27 1.39011175e+01 -2.66479765e+01 5.50529890e+00 28 -2.83710739e+01 2.41522861e+01 1.05500601e+01 29 -7.78172858e+00 -6.79181515e+00 4.71148340e+00 30 6.21573273e+00 9.24982672e+00 3.23427020e+00 31 1.04769506e+01 -6.21671135e+00 6.37474352e+00 32 6.30746386e+00 1.33698911e+01 1.38663925e+01 MONOATOMIC STRUCTURE (pbc=True)-- Species = Cu (Configuration in file "config-T-Cu.xyz") ----------------------------------------------------------------------------------------------------- Energy = 7.489464810723154 Forces: 1 -7.64672447e-01 -7.04805203e+00 -7.91470908e+00 2 -7.17519608e+00 9.14457610e+00 -3.06775360e+00 3 5.26928160e+00 -2.66189474e+00 -1.87162814e+00 4 -4.52445064e+00 5.19227903e+00 5.40281836e+00 5 4.90766435e+00 -1.39717826e+01 -1.64898202e+00 6 4.30146245e+00 4.86743105e+00 -3.55772802e+00 7 1.09045143e+01 -2.11234285e+01 -2.42635066e+01 8 -1.90806118e+01 -4.96813865e+00 -4.29260388e+00 9 -1.05358526e+01 -5.63991885e+00 -1.29721216e+01 10 -7.29680353e+00 1.98156100e+01 -1.75188951e+01 11 -3.69534496e+00 -1.60137864e+01 1.50306359e+01 12 -7.32928053e+00 1.13090322e+01 3.10946739e+00 13 -2.52831451e+00 -1.13722567e+01 -3.46467269e+01 14 4.83568061e+00 7.40917324e+00 -5.08466275e+00 15 3.14294828e+01 -9.42793906e+00 1.04661275e+01 16 5.20587835e+00 2.15611979e+01 1.14651707e+01 17 -1.18275086e+01 -6.97734292e+00 -5.09173994e+00 18 -3.35318103e+00 1.28091852e+01 -2.22737205e+01 19 3.01982753e+00 -1.63744276e+01 1.09497462e+01 20 -6.74440134e+00 7.57427073e+00 7.87929984e+00 21 -1.96108065e+01 -1.28348308e+01 1.25866418e+01 22 2.08180455e+01 1.75147060e+01 1.35985167e+01 23 5.69001822e+00 -1.01545253e+00 6.55565678e+00 24 1.40463958e+01 3.74185626e+00 1.34524977e+01 25 -3.30782854e+00 -7.93495751e+00 -7.48911377e-01 26 -3.40246066e+00 9.30939036e+00 -9.78513798e+00 27 1.39011175e+01 -2.66479765e+01 5.50529890e+00 28 -2.83710739e+01 2.41522861e+01 1.05500601e+01 29 -7.78172858e+00 -6.79181515e+00 4.71148340e+00 30 6.21573273e+00 9.24982672e+00 3.23427020e+00 31 1.04769506e+01 -6.21671135e+00 6.37474352e+00 32 6.30746386e+00 1.33698911e+01 1.38663925e+01 ERROR: Unable to perform verification check. Message = [Errno 12] Cannot allocate memory