KIM ID VC_903502816694_002-and-MO_152208847456_001-vr
KIM ID (with timestamp) VC_903502816694_002-and-MO_152208847456_001-1639763608-vr
KIM Item Type Verification Result
Verification Check PermutationSymmetry__VC_903502816694_002
Model Tersoff_LAMMPS_ZhangNguyen_2021_MoSe__MO_152208847456_001
Whetstone Benchmark

Measured in Millions of Whetstone Instructions Per Second (MWIPS)
CPU AMD Opteron(tm) Processor 6344
The amount of time the CPU was busy executing code in user space.

Measured in seconds
Usertime × Whetstone Benchmark
Usertime multiplied by the Whetstone Benchmark. This number can be used (approximately) to compare the performance of different models independently of the architecture on which the test was run.

Measured in Millions of Whetstone Instructions (MWI)
Grade P
Category mandatory
Name vc-permutation-symmetry
Description Check whether a model is invariant with respect to atom permutations that preserve species, i.e. swapping any two atoms with the same species must not change the energy or forces. This must be true for all models. The check is performed for a randomly distorted non-periodic diamond cube base structure. Separate configurations are tested for each species supported by the model, as well as one containing a random distribution of all species. The energy and forces of each configuration are compared with one where each atom is randomly swapped with another atom of the same species. The energy and forces must remain unchanged. The verification check will pass if these conditions are satisfied for all configurations that the model is able to compute. Configurations used for testing are provided as auxiliary files.