Match comparison for Force 1 (y) (match type 31099)
Commits >
Commit 7674d3f014e9528d45a88358f14173f28daae041 >
Input 08-symmetrization_mgga.01-spg3_sym.inp
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| -1.923577940000000e-15 | 3.830000000000000e-15 | -1.301493227281250e-15 | 2.489784306189393e-15 | -1.675200775000000e-15 | 3.229865375000000e-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: -0.00000000000000192357794, precision: 0.00000000000000383| Run | Value | Difference | Relative difference | Status |
| foss-cmake-zen4: [foss2023a-serial, foss-min] | -1.973383480000000e-15 | -4.980553999999993e-17 | -1.300405744125325e-02 | PASS |
| foss-cmake-zen4: [foss2023a-serial, foss-full] | 7.653654190000000e-16 | 2.688943359000000e-15 | 7.020739840731069e-01 | PASS |
| foss-cmake-zen4: [foss2023a-mpi, foss-full-mpi] | 1.554664600000000e-15 | 3.478242540000000e-15 | 9.081573211488250e-01 | PASS |
| foss-cmake-zen4: [foss2023a-mpi, foss-min-mpi] | -1.481237010000000e-15 | 4.423409300000000e-16 | 1.154937154046997e-01 | PASS |
| foss-serial-min: [foss2023a-serial] | -4.905066150000000e-15 | -2.981488210000000e-15 | -7.784564516971278e-01 | PASS |
| foss-serial-min: [foss2022a-serial] | -4.905066150000000e-15 | -2.981488210000000e-15 | -7.784564516971278e-01 | PASS |
| foss-serial-min: [foss2023b-serial] | -4.905066150000000e-15 | -2.981488210000000e-15 | -7.784564516971278e-01 | PASS |
| intel_autotools: [intel2023a-serial] | -2.659656350000000e-15 | -7.360784100000002e-16 | -1.921875744125327e-01 | PASS |
| foss-opt-full: [foss2023a-serial] | -4.905066150000000e-15 | -2.981488210000000e-15 | -7.784564516971278e-01 | PASS |
| foss-serial-full: [foss2023b-serial] | -4.905066150000000e-15 | -2.981488210000000e-15 | -7.784564516971278e-01 | PASS |
| foss_cmake: [foss2022a-serial, foss-min] | -4.905066150000000e-15 | -2.981488210000000e-15 | -7.784564516971278e-01 | PASS |
| foss-ppc: [foss2022a-serial] | -7.359293300000000e-16 | 1.187648610000000e-15 | 3.100910208877284e-01 | PASS |
| foss-serial-debug: [foss2023a-serial] | -4.905066150000000e-15 | -2.981488210000000e-15 | -7.784564516971278e-01 | PASS |
| intel_omp_autotools: [intel2022a-serial] | 5.079487180000000e-16 | 2.431526658000000e-15 | 6.348633571801565e-01 | PASS |
| intel_omp_autotools: [intel2023a-serial] | -2.721076400000000e-16 | 1.651470300000000e-15 | 4.311932898172323e-01 | PASS |
| foss-serial-full: [foss2023a-serial] | -4.905066150000000e-15 | -2.981488210000000e-15 | -7.784564516971278e-01 | PASS |
| foss-omp-full: [foss2023a-serial] | 4.763984350000000e-16 | 2.399976375000000e-15 | 6.266256853785900e-01 | PASS |
| foss-mpi-opt-full: [foss2023a-mpi] | 1.057910270000000e-15 | 2.981488210000000e-15 | 7.784564516971278e-01 | PASS |
| foss_cmake: [foss2022a-serial, foss-full] | -4.905066150000000e-15 | -2.981488210000000e-15 | -7.784564516971278e-01 | PASS |
| foss-mpi-full: [foss2023a-mpi] | 1.057910270000000e-15 | 2.981488210000000e-15 | 7.784564516971278e-01 | PASS |
| foss-mpi-min: [foss2022a-mpi] | 1.057910270000000e-15 | 2.981488210000000e-15 | 7.784564516971278e-01 | PASS |
| intel_mpi_autotools: [intel2023a-mpi] | 6.994459270000000e-16 | 2.623023867000000e-15 | 6.848626284595299e-01 | PASS |
| foss-mpi-debug: [foss2023a-mpi] | 1.057910270000000e-15 | 2.981488210000000e-15 | 7.784564516971278e-01 | PASS |
| foss-mpi-min: [foss2023a-mpi] | 1.057910270000000e-15 | 2.981488210000000e-15 | 7.784564516971278e-01 | PASS |
| foss-mpi-omp-full: [foss2023a-mpi] | -1.793433020000000e-15 | 1.301449200000001e-16 | 3.398039686684075e-02 | PASS |
| foss_cmake: [foss2022a-mpi, foss-full-mpi] | 1.057910270000000e-15 | 2.981488210000000e-15 | 7.784564516971278e-01 | PASS |
| foss_cmake: [foss2023a-mpi, foss-full-mpi] | 1.057910270000000e-15 | 2.981488210000000e-15 | 7.784564516971278e-01 | PASS |
| foss_cmake: [foss2022a-mpi, foss-min-mpi] | 1.057910270000000e-15 | 2.981488210000000e-15 | 7.784564516971278e-01 | PASS |
| foss_cmake: [foss2023a-mpi, foss-min-mpi] | 1.057910270000000e-15 | 2.981488210000000e-15 | 7.784564516971278e-01 | PASS |
| intel_mpi_omp_autotools: [intel2022a-mpi] | -6.406279590000000e-16 | 1.282949981000000e-15 | 3.349738853785901e-01 | PASS |
| foss_cuda_autotools: [foss2022a-cuda-mpi] | 5.875291570000000e-16 | 2.511107097000000e-15 | 6.556415396866840e-01 | PASS |
| foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi] | -2.058357820000000e-15 | -1.347798800000002e-16 | -3.519056919060057e-02 | PASS |