Match comparison for y (H4) (t=400 au) (match type 26059)
Commits >
Commit 6099f031302cffa2938f492784ba2f7b55faffa3 >
Input 11-dftbplus_ehrenfest.01-benzene.inp
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| -7.454872700000000e-01 | 1.000000000000000e-04 | -7.454904847664303e-01 | 3.576734454691704e-14 | -7.454904847663917e-01 | 6.455946888195285e-14 | PASS |
Checks do not indicate problems with this match.
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Detailed information
Reference: -0.74548727, precision: 0.0001| Run | Value | Difference | Relative difference | Status |
| foss_opt_autotools: [foss2023a-serial] | -7.454904847664562e-01 | -3.214766456149931e-06 | -3.214766456149931e-02 | PASS |
| foss_autotools: [foss2022a-serial] | -7.454904847664562e-01 | -3.214766456149931e-06 | -3.214766456149931e-02 | PASS |
| foss_autotools: [foss2023a-serial] | -7.454904847664562e-01 | -3.214766456149931e-06 | -3.214766456149931e-02 | PASS |
| intel_autotools: [intel2023a-serial] | -7.454904847664138e-01 | -3.214766413739412e-06 | -3.214766413739412e-02 | PASS |
| foss_autotools: [foss2023b-serial] | -7.454904847664562e-01 | -3.214766456149931e-06 | -3.214766456149931e-02 | PASS |
| foss_cmake: [foss2022a-serial, foss-full] | -7.454904847664562e-01 | -3.214766456149931e-06 | -3.214766456149931e-02 | PASS |
| foss_omp_autotools: [foss2023a-serial] | -7.454904847664158e-01 | -3.214766415737813e-06 | -3.214766415737813e-02 | PASS |
| intel_omp_autotools: [intel2022a-serial] | -7.454904847664166e-01 | -3.214766416514969e-06 | -3.214766416514969e-02 | PASS |
| foss_cmake: [foss2022a-mpi, foss-full-mpi] | -7.454904847664562e-01 | -3.214766456149931e-06 | -3.214766456149931e-02 | PASS |
| foss_cmake: [foss2023a-mpi, foss-full-mpi] | -7.454904847664562e-01 | -3.214766456149931e-06 | -3.214766456149931e-02 | PASS |
| intel_omp_autotools: [intel2023a-serial] | -7.454904847664166e-01 | -3.214766416514969e-06 | -3.214766416514969e-02 | PASS |
| foss_ppc_autotools: [foss2022a-serial] | -7.454904847663271e-01 | -3.214766327030993e-06 | -3.214766327030993e-02 | PASS |
| foss_cuda_autotools: [foss2022a-cuda-mpi] | -7.454904847664098e-01 | -3.214766409742609e-06 | -3.214766409742609e-02 | PASS |