Match comparison for Bader value 2 (match type 23597)
Commits >
Commit 15b914f6cf8a906b04634cf1151edac44a3f54fa >
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 | 1.020697746721552e-15 | 1.159825440646660e-02 | 3.199697451439221e-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 |
| cmake_foss_2022a_full_serial | 1.159825440646590e-02 | 1.198693921899974e-15 | 2.136709308199597e-01 | PASS |
| spack_foss-2022a_serial_min | 1.159825440646590e-02 | 1.198693921899974e-15 | 2.136709308199597e-01 | PASS |
| spack_foss-2023a_serial_min | 1.159825440646590e-02 | 1.198693921899974e-15 | 2.136709308199597e-01 | PASS |
| spack_foss-2023a_serial | 1.159825440646590e-02 | 1.198693921899974e-15 | 2.136709308199597e-01 | PASS |
| spack_foss-2022a_serial | 1.159825440646590e-02 | 1.198693921899974e-15 | 2.136709308199597e-01 | PASS |
| spack_foss-2022a_ppc | 1.159825440646980e-02 | 5.098352295895836e-15 | 9.087972006944449e-01 | PASS |
| cmake_foss_2022a_min_serial | 1.159825440646590e-02 | 1.198693921899974e-15 | 2.136709308199597e-01 | PASS |
| cmake_foss_2022a_min_mpi | 1.159825440646580e-02 | 1.099814683769296e-15 | 1.960453981763450e-01 | PASS |
| spack_foss-2023a_mpi_min | 1.159825440646580e-02 | 1.099814683769296e-15 | 1.960453981763450e-01 | PASS |
| spack_foss-2022a_mpi_min | 1.159825440646580e-02 | 1.099814683769296e-15 | 1.960453981763450e-01 | PASS |
| cmake_foss_2022a_full_mpi | 1.159825440646580e-02 | 1.099814683769296e-15 | 1.960453981763450e-01 | PASS |
| spack_foss-2023a_serial_debug | 1.159825440646590e-02 | 1.198693921899974e-15 | 2.136709308199597e-01 | PASS |
| spack_foss-2023a_mpi_opt | 1.159825440646580e-02 | 1.099814683769296e-15 | 1.960453981763450e-01 | PASS |
| spack_foss-2022a_mpi | 1.159825440646580e-02 | 1.099814683769296e-15 | 1.960453981763450e-01 | PASS |
| spack_foss-2023a_mpi | 1.159825440646580e-02 | 1.099814683769296e-15 | 1.960453981763450e-01 | PASS |
| spack_foss-2022a_cuda_serial | 1.159825440646340e-02 | -1.301042606982605e-15 | -2.319149032054555e-01 | PASS |
| spack_foss-2022a_cuda_mpi_omp | 1.159825440646340e-02 | -1.301042606982605e-15 | -2.319149032054555e-01 | PASS |
| spack_foss-2023a_mpi_debug | 1.159825440646580e-02 | 1.099814683769296e-15 | 1.960453981763450e-01 | PASS |
| spack_foss-2023a_mpi_omp | 1.159825440646580e-02 | 1.099814683769296e-15 | 1.960453981763450e-01 | PASS |
| spack_foss-2023a_serial_opt | 1.159825440646590e-02 | 1.198693921899974e-15 | 2.136709308199597e-01 | PASS |
| spack_foss-2023b_serial | 1.159825440646590e-02 | 1.198693921899974e-15 | 2.136709308199597e-01 | PASS |
| spack_foss-2023a_serial_omp | 1.159825440646580e-02 | 1.099814683769296e-15 | 1.960453981763450e-01 | PASS |
| spack_intel-2023a_serial | 1.159825440646620e-02 | 1.498801083243961e-15 | 2.671659684926847e-01 | PASS |
| spack_intel-2022a_serial_omp | 1.159825440646620e-02 | 1.498801083243961e-15 | 2.671659684926847e-01 | PASS |
| spack_intel-2023a_serial_omp | 1.159825440646620e-02 | 1.498801083243961e-15 | 2.671659684926847e-01 | PASS |
| spack_intel-2023a_impi | 1.159825440646610e-02 | 1.398187121637307e-15 | 2.492312159781295e-01 | PASS |
| spack_intel-2022a_impi_omp | 1.159825440646610e-02 | 1.398187121637307e-15 | 2.492312159781295e-01 | PASS |