Match comparison for Force 2 (y) (match type 31102)
Commits >
Commit 4b6d45842a438d46c51308ffa6e74b875e60d9e9 >
Input 08-symmetrization_mgga.01-spg3_sym.inp
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| 1.923605050000000e-15 | 3.830000000000000e-15 | 1.362425990235294e-15 | 2.523678116560938e-15 | 1.675214330000000e-15 | 3.229878930000000e-15 | PASS |
Checks for this match
- Precision seems large and value close to zero. Should value be 0?
- Mid point of values far away from reference. Recentering may be necessary.
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Detailed information
Reference: 0.00000000000000192360505, precision: 0.00000000000000383| Run | Value | Difference | Relative difference | Status |
| foss-cmake-zen4: [foss2023a-serial, foss-full] | -7.653925240000000e-16 | -2.688997574000000e-15 | -7.020881394255873e-01 | PASS |
| foss-cmake-zen4: [foss2023a-serial, foss-min] | 1.973383480000000e-15 | 4.977843000000008e-17 | 1.299697911227156e-02 | PASS |
| foss-cmake-zen4: [foss2023a-mpi, foss-full-mpi] | -1.554664600000000e-15 | -3.478269650000000e-15 | -9.081643994778066e-01 | PASS |
| foss-cmake-zen4: [foss2023a-mpi, foss-min-mpi] | 1.481237010000000e-15 | -4.423680399999999e-16 | -1.155007937336814e-01 | PASS |
| foss_cmake: [foss2022a-serial, foss-min] | 4.905093260000000e-15 | 2.981488210000000e-15 | 7.784564516971278e-01 | PASS |
| foss-serial-min: [foss2023a-serial] | 4.905093260000000e-15 | 2.981488210000000e-15 | 7.784564516971278e-01 | PASS |
| foss-serial-min: [foss2022a-serial] | 4.905093260000000e-15 | 2.981488210000000e-15 | 7.784564516971278e-01 | PASS |
| foss_cmake: [foss2022a-serial, foss-full] | 4.905093260000000e-15 | 2.981488210000000e-15 | 7.784564516971278e-01 | PASS |
| foss-serial-min: [foss2023b-serial] | 4.905093260000000e-15 | 2.981488210000000e-15 | 7.784564516971278e-01 | PASS |
| foss_autotools: [foss2023a-serial] | 4.905093260000000e-15 | 2.981488210000000e-15 | 7.784564516971278e-01 | PASS |
| foss_autotools: [foss2023b-serial] | 4.905093260000000e-15 | 2.981488210000000e-15 | 7.784564516971278e-01 | PASS |
| foss_autotools: [foss2022a-serial] | 4.905093260000000e-15 | 2.981488210000000e-15 | 7.784564516971278e-01 | PASS |
| intel_autotools: [intel2023a-serial] | 2.659656350000000e-15 | 7.360513000000004e-16 | 1.921804960835510e-01 | PASS |
| foss-opt-full: [foss2023a-serial] | 4.905093260000000e-15 | 2.981488210000000e-15 | 7.784564516971278e-01 | PASS |
| foss_cmake: [foss2022a-mpi, foss-full-mpi] | -1.057883160000000e-15 | -2.981488210000000e-15 | -7.784564516971278e-01 | PASS |
| foss-serial-debug: [foss2023a-serial] | 4.905093260000000e-15 | 2.981488210000000e-15 | 7.784564516971278e-01 | PASS |
| intel_omp_autotools: [intel2022a-serial] | -5.079216130000000e-16 | -2.431526663000000e-15 | -6.348633584856396e-01 | PASS |
| intel_omp_autotools: [intel2023a-serial] | 2.721076400000000e-16 | -1.651497410000000e-15 | -4.312003681462140e-01 | PASS |
| foss_cmake: [foss2023a-mpi, foss-full-mpi] | -1.057883160000000e-15 | -2.981488210000000e-15 | -7.784564516971278e-01 | PASS |
| foss_mpi_opt_autotools: [foss2023a-mpi] | -1.057883160000000e-15 | -2.981488210000000e-15 | -7.784564516971278e-01 | PASS |
| foss-omp-full: [foss2023a-serial] | -4.763984350000000e-16 | -2.400003485000000e-15 | -6.266327637075717e-01 | PASS |
| foss_mpi_autotools: [foss2022a-mpi] | -1.057883160000000e-15 | -2.981488210000000e-15 | -7.784564516971278e-01 | PASS |
| foss_mpi_autotools: [foss2023a-mpi] | -1.057883160000000e-15 | -2.981488210000000e-15 | -7.784564516971278e-01 | PASS |
| foss_ppc_autotools: [foss2022a-serial] | 1.562958750000000e-15 | -3.606462999999997e-16 | -9.416352480417747e-02 | PASS |
| foss_cmake: [foss2023a-mpi, foss-min-mpi] | -1.057883160000000e-15 | -2.981488210000000e-15 | -7.784564516971278e-01 | PASS |
| foss_cmake: [foss2022a-mpi, foss-min-mpi] | -1.057883160000000e-15 | -2.981488210000000e-15 | -7.784564516971278e-01 | PASS |
| foss_cuda_autotools: [foss2022a-cuda-mpi] | -5.875291570000000e-16 | -2.511134207000000e-15 | -6.556486180156657e-01 | PASS |
| intel_mpi_autotools: [intel2023a-mpi] | -6.994459270000000e-16 | -2.623050977000000e-15 | -6.848697067885117e-01 | PASS |
| foss-mpi-min: [foss2023a-mpi] | -1.057883160000000e-15 | -2.981488210000000e-15 | -7.784564516971278e-01 | PASS |
| foss-mpi-min: [foss2022a-mpi] | -1.057883160000000e-15 | -2.981488210000000e-15 | -7.784564516971278e-01 | PASS |
| foss_mpi_debug_autotools: [foss2023a-mpi] | -1.057883160000000e-15 | -2.981488210000000e-15 | -7.784564516971278e-01 | PASS |
| foss_mpi_omp_autotools: [foss2023a-mpi] | 1.793433020000000e-15 | -1.301720299999999e-16 | -3.398747519582243e-02 | PASS |
| intel_mpi_omp_autotools: [intel2022a-mpi] | 6.406008540000000e-16 | -1.283004196000000e-15 | -3.349880407310704e-01 | PASS |
| foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi] | 2.058357820000000e-15 | 1.347527700000004e-16 | 3.518349086161889e-02 | PASS |