| KIM ID | VC_303890932454_001-and-MO_984358344196_001-vr |
|---|---|
| KIM ID (with timestamp) | VC_303890932454_001-and-MO_984358344196_001-1515445367-vr |
| KIM Item Type | Verification Result |
| Verification Check | DimerContinuityC1__VC_303890932454_001 |
| Model | Pair_Morse_Shifted_GirifalcoWeizer_MedCutoff_Fe__MO_984358344196_001 |
| Properties | |
| Whetstone Benchmark
http://en.wikipedia.org/wiki/Whetstone_(benchmark)
Measured in Millions of Whetstone Instructions Per Second (MWIPS) | 3598.1 |
| CPU | Intel(R) Xeon(R) CPU E5-2676 v3 @ 2.40GHz |
| Usertime
The amount of time the CPU was busy executing code in user space.
Measured in seconds | 6.64 |
| 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) | 23891 |
| Grade | F |
| Category | informational |
| Name | vc-dimer-continuity-c1 |
| Description | Determines whether a model has a continuous energy and first derivative, i.e. belongs to the C^1 continuity class, for all possible dimers. For a model supporting N species, there are N + N!/(2(N-2)! distinct dimers for all possible species combinations. (For example if N=3, there are 3+3!/2=6 dimers. If the species are A,B,C, the 6 dimers are AA, BB, CC, AB, AC, BC.) For each dimer, the equilibrium separation and cutoff are determined. The continuity across the cutoff is assessed. Then an analysis is performed to detect any discontinuities from half the equilibrium distance to the cutoff. Although the verification check only requires C^1 continuity to pass, continuity up to 3rd order is checked and reported. |