Match comparison for z (C2) (t=400 au) (match type 26051)
Commits >
Commit 968a3ff7080ffa1f89f08d37efc7416527769dec >
Input 11-dftbplus_ehrenfest.01-benzene.inp
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| 3.126510300000000e-01 | 1.000000000000000e-04 | 3.126558438240454e-01 | 9.171753616831419e-15 | 3.126558438240526e-01 | 1.429412144204889e-14 | PASS |
Checks for this match
- GPU builders have different values.
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Detailed information
Reference: 0.31265103, precision: 0.0001| Run | Value | Difference | Relative difference | Status |
| foss_cmake: [foss2022a-serial, foss-full] | 3.126558438240384e-01 | 4.813824038385484e-06 | 4.813824038385484e-02 | PASS |
| foss_opt_autotools: [foss2023a-serial] | 3.126558438240384e-01 | 4.813824038385484e-06 | 4.813824038385484e-02 | PASS |
| foss_autotools: [foss2023a-serial] | 3.126558438240384e-01 | 4.813824038385484e-06 | 4.813824038385484e-02 | PASS |
| foss_autotools: [foss2023b-serial] | 3.126558438240384e-01 | 4.813824038385484e-06 | 4.813824038385484e-02 | PASS |
| foss_autotools: [foss2022a-serial] | 3.126558438240384e-01 | 4.813824038385484e-06 | 4.813824038385484e-02 | PASS |
| intel_autotools: [intel2023a-serial] | 3.126558438240416e-01 | 4.813824041605130e-06 | 4.813824041605130e-02 | PASS |
| foss_cmake: [foss2022a-mpi, foss-full-mpi] | 3.126558438240384e-01 | 4.813824038385484e-06 | 4.813824038385484e-02 | PASS |
| foss_cmake: [foss2023a-mpi, foss-full-mpi] | 3.126558438240384e-01 | 4.813824038385484e-06 | 4.813824038385484e-02 | PASS |
| foss_omp_autotools: [foss2023a-serial] | 3.126558438240495e-01 | 4.813824049487714e-06 | 4.813824049487714e-02 | PASS |
| intel_omp_autotools: [intel2023a-serial] | 3.126558438240545e-01 | 4.813824054539229e-06 | 4.813824054539229e-02 | PASS |
| intel_omp_autotools: [intel2022a-serial] | 3.126558438240545e-01 | 4.813824054539229e-06 | 4.813824054539229e-02 | PASS |
| foss_ppc_autotools: [foss2022a-serial] | 3.126558438240546e-01 | 4.813824054650251e-06 | 4.813824054650251e-02 | PASS |
| foss_cuda_autotools: [foss2022a-cuda-mpi] | 3.126558438240670e-01 | 4.813824066973726e-06 | 4.813824066973726e-02 | PASS |