KIM ID VC_710586816390_003-and-MO_781946209112_000-vr
KIM ID (with timestamp) VC_710586816390_003-and-MO_781946209112_000-1711747313-vr
KIM Item Type Verification Result
Verification Check ForcesNumerDeriv__VC_710586816390_003
Model TorchML_MACE_GuptaTadmorMartiniani_2024_Si__MO_781946209112_000
Properties
Whetstone Benchmark
http://en.wikipedia.org/wiki/Whetstone_(benchmark)

Measured in Millions of Whetstone Instructions Per Second (MWIPS)
6076.0
CPU Intel(R) Xeon(R) CPU E5-2680 v3 @ 2.50GHz
Usertime
The amount of time the CPU was busy executing code in user space.

Measured in seconds
1194000.87
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)
7254749286
Grade F
Category consistency
Name vc-forces-numerical-derivative
Description Comparison of the analytical forces obtained from the model with forces computed by numerical differentiation using Richardson extrapolation for a randomly distorted non-periodic structure based off the equilibrium face-centered cubic (fcc) structure. 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.