Match comparison for Bader value 2 (match type 23597)
Commits >
Commit 968a3ff7080ffa1f89f08d37efc7416527769dec >
Input 09-symmetrization_gga.01-spg143_nosym.inp
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| 1.159825440646470e-02 | 5.610000000000000e-15 | 1.159825440646587e-02 | 9.906866905376865e-16 | 1.159825440646660e-02 | 3.300311413045875e-15 | PASS |
Checks for this match
- GPU builders have different values.
- Mid point of values far away from reference. Recentering may be necessary.
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Detailed information
Reference: 0.011598254406464701, precision: 0.00000000000000561| Run | Value | Difference | Relative difference | Status |
| foss_cmake: [foss2022a-serial, foss-min] | 1.159825440646590e-02 | 1.198693921899974e-15 | 2.136709308199597e-01 | PASS |
| foss_cmake: [foss2022a-serial, foss-full] | 1.159825440646590e-02 | 1.198693921899974e-15 | 2.136709308199597e-01 | PASS |
| foss_min_autotools: [foss2023a-serial] | 1.159825440646590e-02 | 1.198693921899974e-15 | 2.136709308199597e-01 | PASS |
| foss_min_autotools: [foss2023b-serial] | 1.159825440646590e-02 | 1.198693921899974e-15 | 2.136709308199597e-01 | PASS |
| foss_min_autotools: [foss2022a-serial] | 1.159825440646590e-02 | 1.198693921899974e-15 | 2.136709308199597e-01 | PASS |
| foss_opt_autotools: [foss2023a-serial] | 1.159825440646590e-02 | 1.198693921899974e-15 | 2.136709308199597e-01 | PASS |
| foss_autotools: [foss2023a-serial] | 1.159825440646590e-02 | 1.198693921899974e-15 | 2.136709308199597e-01 | PASS |
| foss_autotools: [foss2023b-serial] | 1.159825440646590e-02 | 1.198693921899974e-15 | 2.136709308199597e-01 | PASS |
| foss_autotools: [foss2022a-serial] | 1.159825440646590e-02 | 1.198693921899974e-15 | 2.136709308199597e-01 | PASS |
| foss_cmake: [foss2023a-mpi, foss-min-mpi] | 1.159825440646580e-02 | 1.099814683769296e-15 | 1.960453981763450e-01 | PASS |
| intel_autotools: [intel2023a-serial] | 1.159825440646620e-02 | 1.498801083243961e-15 | 2.671659684926847e-01 | PASS |
| foss_cmake: [foss2022a-mpi, foss-min-mpi] | 1.159825440646580e-02 | 1.099814683769296e-15 | 1.960453981763450e-01 | PASS |
| foss_mpi_min_autotools: [foss2022a-mpi] | 1.159825440646580e-02 | 1.099814683769296e-15 | 1.960453981763450e-01 | PASS |
| foss_mpi_min_autotools: [foss2023a-mpi] | 1.159825440646580e-02 | 1.099814683769296e-15 | 1.960453981763450e-01 | PASS |
| foss_cmake: [foss2022a-mpi, foss-full-mpi] | 1.159825440646580e-02 | 1.099814683769296e-15 | 1.960453981763450e-01 | PASS |
| foss_cmake: [foss2023a-mpi, foss-full-mpi] | 1.159825440646580e-02 | 1.099814683769296e-15 | 1.960453981763450e-01 | PASS |
| foss_mpi_opt_autotools: [foss2023a-mpi] | 1.159825440646580e-02 | 1.099814683769296e-15 | 1.960453981763450e-01 | PASS |
| foss_omp_autotools: [foss2023a-serial] | 1.159825440646590e-02 | 1.198693921899974e-15 | 2.136709308199597e-01 | PASS |
| foss_mpi_autotools: [foss2023a-mpi] | 1.159825440646580e-02 | 1.099814683769296e-15 | 1.960453981763450e-01 | PASS |
| intel_omp_autotools: [intel2023a-serial] | 1.159825440646620e-02 | 1.498801083243961e-15 | 2.671659684926847e-01 | PASS |
| foss_mpi_autotools: [foss2022a-mpi] | 1.159825440646580e-02 | 1.099814683769296e-15 | 1.960453981763450e-01 | PASS |
| intel_omp_autotools: [intel2022a-serial] | 1.159825440646620e-02 | 1.498801083243961e-15 | 2.671659684926847e-01 | PASS |
| foss_debug_autotools: [foss2023a-serial] | 1.159825440646590e-02 | 1.198693921899974e-15 | 2.136709308199597e-01 | PASS |
| foss_ppc_autotools: [foss2022a-serial] | 1.159825440646990e-02 | 5.198966257502491e-15 | 9.267319532090001e-01 | PASS |
| intel_mpi_autotools: [intel2023a-mpi] | 1.159825440646610e-02 | 1.398187121637307e-15 | 2.492312159781295e-01 | PASS |
| foss_mpi_debug_autotools: [foss2023a-mpi] | 1.159825440646580e-02 | 1.099814683769296e-15 | 1.960453981763450e-01 | PASS |
| foss_cuda_autotools: [foss2022a-cuda-mpi] | 1.159825440646330e-02 | -1.401656568589260e-15 | -2.498496557200107e-01 | PASS |
| foss_mpi_omp_autotools: [foss2023a-mpi] | 1.159825440646580e-02 | 1.099814683769296e-15 | 1.960453981763450e-01 | PASS |
| foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi] | 1.159825440646340e-02 | -1.301042606982605e-15 | -2.319149032054555e-01 | PASS |
| intel_mpi_omp_autotools: [intel2022a-mpi] | 1.159825440646610e-02 | 1.398187121637307e-15 | 2.492312159781295e-01 | PASS |