Match comparison for y (C3) (t=400 au) (match type 26046)
Commits >
Commit 3874475d54e6d4931162c1a62f5667add8f8f561 >
Input 11-dftbplus_ehrenfest.01-benzene.inp
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| 9.455055999999999e-01 | 1.000000000000000e-04 | 9.455131180888252e-01 | 7.560640287766704e-15 | 9.455131180888221e-01 | 8.604228440844963e-15 | PASS |
Checks for this match
- OpenMP builders have different values.
- Mid point of values far away from reference. Recentering may be necessary.
Loading plot...
Detailed information
Reference: 0.9455056, precision: 0.0001| Run | Value | Difference | Relative difference | Status |
| foss_cmake: [foss2022a-serial, foss-full] | 9.455131180888308e-01 | 7.518088830815728e-06 | 7.518088830815728e-02 | PASS |
| foss_autotools: [foss2023b-serial] | 9.455131180888308e-01 | 7.518088830815728e-06 | 7.518088830815728e-02 | PASS |
| foss_opt_autotools: [foss2023a-serial] | 9.455131180888308e-01 | 7.518088830815728e-06 | 7.518088830815728e-02 | PASS |
| foss_autotools: [foss2023a-serial] | 9.455131180888308e-01 | 7.518088830815728e-06 | 7.518088830815728e-02 | PASS |
| foss_autotools: [foss2022a-serial] | 9.455131180888308e-01 | 7.518088830815728e-06 | 7.518088830815728e-02 | PASS |
| intel_autotools: [intel2023a-serial] | 9.455131180888139e-01 | 7.518088813940338e-06 | 7.518088813940338e-02 | PASS |
| foss_cmake: [foss2022a-mpi, foss-full-mpi] | 9.455131180888308e-01 | 7.518088830815728e-06 | 7.518088830815728e-02 | PASS |
| foss_cmake: [foss2023a-mpi, foss-full-mpi] | 9.455131180888308e-01 | 7.518088830815728e-06 | 7.518088830815728e-02 | PASS |
| foss_omp_autotools: [foss2023a-serial] | 9.455131180888136e-01 | 7.518088813607271e-06 | 7.518088813607271e-02 | PASS |
| foss_ppc_autotools: [foss2022a-serial] | 9.455131180888139e-01 | 7.518088813940338e-06 | 7.518088813940338e-02 | PASS |
| foss_cuda_autotools: [foss2022a-cuda-mpi] | 9.455131180888207e-01 | 7.518088820712698e-06 | 7.518088820712698e-02 | PASS |