Match comparison for y (C3) (t=400 au) (match type 26046)
Commits >
Commit bb161c2d0107cec853e686df3a469ebc444968d7 >
Input 11-dftbplus_ehrenfest.01-benzene.inp
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| 9.455055999999999e-01 | 1.000000000000000e-04 | 9.455131180888272e-01 | 6.315598112628559e-15 | 9.455131180888225e-01 | 8.715250743307479e-15 | PASS |
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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: [foss2022a-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: [foss2023b-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_autotools: [foss2023a-serial] | 9.455131180888308e-01 | 7.518088830815728e-06 | 7.518088830815728e-02 | PASS |
| foss_omp_autotools: [foss2023a-serial] | 9.455131180888313e-01 | 7.518088831370839e-06 | 7.518088831370839e-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 |
| intel_omp_autotools: [intel2023a-serial] | 9.455131180888300e-01 | 7.518088830038572e-06 | 7.518088830038572e-02 | PASS |
| intel_omp_autotools: [intel2022a-serial] | 9.455131180888300e-01 | 7.518088830038572e-06 | 7.518088830038572e-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 |