Match comparison for y (H1) (t=400 au) (match type 26056)
Commits >
Commit 23cadfdc08b3b148a9c434cb52e4be78ff32991e >
Input 11-dftbplus_ehrenfest.01-benzene.inp
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| 7.454878900000000e-01 | 1.000000000000000e-04 | 7.454913619307406e-01 | 5.643271556047857e-14 | 7.454913619307044e-01 | 8.071321389024888e-14 | PASS |
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Detailed information
Reference: 0.74548789, precision: 0.0001| Run | Value | Difference | Relative difference | Status |
| foss_cmake: [foss2022a-serial, foss-full] | 7.454913619307818e-01 | 3.471930781762111e-06 | 3.471930781762111e-02 | PASS |
| foss_autotools: [foss2022a-serial] | 7.454913619307818e-01 | 3.471930781762111e-06 | 3.471930781762111e-02 | PASS |
| foss_autotools: [foss2023b-serial] | 7.454913619307818e-01 | 3.471930781762111e-06 | 3.471930781762111e-02 | PASS |
| intel_autotools: [intel2023a-serial] | 7.454913619307851e-01 | 3.471930785092781e-06 | 3.471930785092781e-02 | PASS |
| foss_autotools: [foss2023a-serial] | 7.454913619307818e-01 | 3.471930781762111e-06 | 3.471930781762111e-02 | PASS |
| foss_opt_autotools: [foss2023a-serial] | 7.454913619307818e-01 | 3.471930781762111e-06 | 3.471930781762111e-02 | PASS |
| foss_cmake: [foss2022a-mpi, foss-full-mpi] | 7.454913619307818e-01 | 3.471930781762111e-06 | 3.471930781762111e-02 | PASS |
| foss_cmake: [foss2023a-mpi, foss-full-mpi] | 7.454913619307818e-01 | 3.471930781762111e-06 | 3.471930781762111e-02 | PASS |
| foss_omp_autotools: [foss2023a-serial] | 7.454913619306237e-01 | 3.471930623666353e-06 | 3.471930623666353e-02 | PASS |
| intel_omp_autotools: [intel2023a-serial] | 7.454913619307018e-01 | 3.471930701715031e-06 | 3.471930701715031e-02 | PASS |
| intel_omp_autotools: [intel2022a-serial] | 7.454913619307018e-01 | 3.471930701715031e-06 | 3.471930701715031e-02 | PASS |
| foss_ppc_autotools: [foss2022a-serial] | 7.454913619306465e-01 | 3.471930646425925e-06 | 3.471930646425925e-02 | PASS |
| foss_cuda_autotools: [foss2022a-cuda-mpi] | 7.454913619306960e-01 | 3.471930695941872e-06 | 3.471930695941872e-02 | PASS |