Match comparison for Bader value 2 (match type 23700)
Commits >
Commit 968a3ff7080ffa1f89f08d37efc7416527769dec >
Input 09-symmetrization_gga.02-spg143_sym.inp
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| 1.159413732288890e-02 | 5.390000000000000e-15 | 1.159413732288865e-02 | 1.415043545814187e-15 | 1.159413732288975e-02 | 4.049711954667856e-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: 0.0115941373228889, precision: 0.00000000000000539| Run | Value | Difference | Relative difference | Status |
| foss_cmake: [foss2022a-serial, foss-min] | 1.159413732288910e-02 | 1.994931997373328e-16 | 3.701172536870739e-02 | PASS |
| foss_cmake: [foss2022a-serial, foss-full] | 1.159413732288910e-02 | 1.994931997373328e-16 | 3.701172536870739e-02 | PASS |
| foss_min_autotools: [foss2023a-serial] | 1.159413732288910e-02 | 1.994931997373328e-16 | 3.701172536870739e-02 | PASS |
| foss_min_autotools: [foss2023b-serial] | 1.159413732288910e-02 | 1.994931997373328e-16 | 3.701172536870739e-02 | PASS |
| foss_min_autotools: [foss2022a-serial] | 1.159413732288910e-02 | 1.994931997373328e-16 | 3.701172536870739e-02 | PASS |
| foss_opt_autotools: [foss2023a-serial] | 1.159413732288910e-02 | 1.994931997373328e-16 | 3.701172536870739e-02 | PASS |
| foss_autotools: [foss2023a-serial] | 1.159413732288910e-02 | 1.994931997373328e-16 | 3.701172536870739e-02 | PASS |
| foss_autotools: [foss2023b-serial] | 1.159413732288910e-02 | 1.994931997373328e-16 | 3.701172536870739e-02 | PASS |
| foss_autotools: [foss2022a-serial] | 1.159413732288910e-02 | 1.994931997373328e-16 | 3.701172536870739e-02 | PASS |
| foss_cmake: [foss2023a-mpi, foss-min-mpi] | 1.159413732288900e-02 | 9.887923813067800e-17 | 1.834494213927236e-02 | PASS |
| intel_autotools: [intel2023a-serial] | 1.159413732288710e-02 | -1.800642968063926e-15 | -3.340710515888545e-01 | PASS |
| foss_cmake: [foss2022a-mpi, foss-min-mpi] | 1.159413732288900e-02 | 9.887923813067800e-17 | 1.834494213927236e-02 | PASS |
| foss_mpi_min_autotools: [foss2022a-mpi] | 1.159413732288900e-02 | 9.887923813067800e-17 | 1.834494213927236e-02 | PASS |
| foss_mpi_min_autotools: [foss2023a-mpi] | 1.159413732288900e-02 | 9.887923813067800e-17 | 1.834494213927236e-02 | PASS |
| foss_cmake: [foss2022a-mpi, foss-full-mpi] | 1.159413732288900e-02 | 9.887923813067800e-17 | 1.834494213927236e-02 | PASS |
| foss_cmake: [foss2023a-mpi, foss-full-mpi] | 1.159413732288900e-02 | 9.887923813067800e-17 | 1.834494213927236e-02 | PASS |
| foss_mpi_opt_autotools: [foss2023a-mpi] | 1.159413732288900e-02 | 9.887923813067800e-17 | 1.834494213927236e-02 | PASS |
| foss_omp_autotools: [foss2023a-serial] | 1.159413732288900e-02 | 9.887923813067800e-17 | 1.834494213927236e-02 | PASS |
| foss_mpi_autotools: [foss2023a-mpi] | 1.159413732288900e-02 | 9.887923813067800e-17 | 1.834494213927236e-02 | PASS |
| intel_omp_autotools: [intel2023a-serial] | 1.159413732288700e-02 | -1.901256929670581e-15 | -3.527378348182896e-01 | PASS |
| foss_mpi_autotools: [foss2022a-mpi] | 1.159413732288900e-02 | 9.887923813067800e-17 | 1.834494213927236e-02 | PASS |
| intel_omp_autotools: [intel2022a-serial] | 1.159413732288700e-02 | -1.901256929670581e-15 | -3.527378348182896e-01 | PASS |
| foss_debug_autotools: [foss2023a-serial] | 1.159413732288910e-02 | 1.994931997373328e-16 | 3.701172536870739e-02 | PASS |
| foss_ppc_autotools: [foss2022a-serial] | 1.159413732289380e-02 | 4.898859096158503e-15 | 9.088792386193885e-01 | PASS |
| intel_mpi_autotools: [intel2023a-mpi] | 1.159413732288710e-02 | -1.800642968063926e-15 | -3.340710515888545e-01 | PASS |
| foss_mpi_debug_autotools: [foss2023a-mpi] | 1.159413732288900e-02 | 9.887923813067800e-17 | 1.834494213927236e-02 | PASS |
| foss_cuda_autotools: [foss2022a-cuda-mpi] | 1.159413732288570e-02 | -3.200564813177209e-15 | -5.937968113501316e-01 | PASS |
| foss_mpi_omp_autotools: [foss2023a-mpi] | 1.159413732288900e-02 | 9.887923813067800e-17 | 1.834494213927236e-02 | PASS |
| foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi] | 1.159413732288570e-02 | -3.200564813177209e-15 | -5.937968113501316e-01 | PASS |
| intel_mpi_omp_autotools: [intel2022a-mpi] | 1.159413732288710e-02 | -1.800642968063926e-15 | -3.340710515888545e-01 | PASS |