| 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. |