Match comparison for Forces [step 15] (match type 22547)
Commits >
Commit 584f61e8603689505e758f366f49c21c2e481def >
Input 05-time_propagation.06-td_fast_md.inp
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| -1.049280232292293e-02 | 3.980000000000000e-14 | -1.049280232292817e-02 | 8.285097531895675e-15 | -1.049280232293948e-02 | 1.965094753586527e-14 | PASS |
Checks for this match
- GPU builders have different values. Intel® builders have different values.
- Mid point of values far away from reference. Recentering may be necessary.
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Detailed information
Reference: -0.01049280232292293, precision: 0.0000000000000398| Run | Value | Difference | Relative difference | Status |
| foss-cmake-zen4: [foss2023a-serial, foss-min] | -1.049280232292493e-02 | -2.001870891277235e-15 | -5.029826359993054e-02 | PASS |
| foss-cmake-zen4: [foss2023a-serial, foss-full] | -1.049280232292493e-02 | -2.001870891277235e-15 | -5.029826359993054e-02 | PASS |
| foss-cmake-zen4: [foss2023a-mpi, foss-full-mpi] | -1.049280232292782e-02 | -4.888450755302642e-15 | -1.228253958618754e-01 | PASS |
| foss-cmake-zen4: [foss2023a-mpi, foss-min-mpi] | -1.049280232292693e-02 | -4.000272335602517e-15 | -1.005093551658924e-01 | PASS |
| foss_cmake: [foss2022a-serial, foss-min] | -1.049280232292604e-02 | -3.112093915902392e-15 | -7.819331446990935e-02 | PASS |
| foss-serial-min: [foss2023a-serial] | -1.049280232292538e-02 | -2.445960101127298e-15 | -6.145628394792206e-02 | PASS |
| foss-serial-min: [foss2022a-serial] | -1.049280232292538e-02 | -2.445960101127298e-15 | -6.145628394792206e-02 | PASS |
| foss_cmake: [foss2022a-serial, foss-full] | -1.049280232292604e-02 | -3.112093915902392e-15 | -7.819331446990935e-02 | PASS |
| foss-serial-min: [foss2023b-serial] | -1.049280232292538e-02 | -2.445960101127298e-15 | -6.145628394792206e-02 | PASS |
| foss_autotools: [foss2022a-serial] | -1.049280232292538e-02 | -2.445960101127298e-15 | -6.145628394792206e-02 | PASS |
| foss_autotools: [foss2023a-serial] | -1.049280232292538e-02 | -2.445960101127298e-15 | -6.145628394792206e-02 | PASS |
| intel_autotools: [intel2023a-serial] | -1.049280232292116e-02 | 1.772887392448297e-15 | 4.454490935799741e-02 | PASS |
| foss_autotools: [foss2023b-serial] | -1.049280232292538e-02 | -2.445960101127298e-15 | -6.145628394792206e-02 | PASS |
| foss-opt-full: [foss2023a-serial] | -1.049280232292604e-02 | -3.112093915902392e-15 | -7.819331446990935e-02 | PASS |
| foss_cmake: [foss2022a-mpi, foss-full-mpi] | -1.049280232293004e-02 | -7.108896804552955e-15 | -1.786154976018331e-01 | PASS |
| foss-serial-debug: [foss2023a-serial] | -1.049280232292538e-02 | -2.445960101127298e-15 | -6.145628394792206e-02 | PASS |
| intel_omp_autotools: [intel2022a-serial] | -1.049280232292138e-02 | 1.550842787523266e-15 | 3.896589918400165e-02 | PASS |
| intel_omp_autotools: [intel2023a-serial] | -1.049280232292138e-02 | 1.550842787523266e-15 | 3.896589918400165e-02 | PASS |
| foss-omp-full: [foss2023a-serial] | -1.049280232292915e-02 | -6.220718384852830e-15 | -1.562994569058500e-01 | PASS |
| foss_mpi_opt_autotools: [foss2023a-mpi] | -1.049280232293004e-02 | -7.108896804552955e-15 | -1.786154976018331e-01 | PASS |
| foss_cmake: [foss2023a-mpi, foss-full-mpi] | -1.049280232293004e-02 | -7.108896804552955e-15 | -1.786154976018331e-01 | PASS |
| foss_mpi_autotools: [foss2022a-mpi] | -1.049280232292893e-02 | -5.998673779927799e-15 | -1.507204467318543e-01 | PASS |
| foss_mpi_autotools: [foss2023a-mpi] | -1.049280232292893e-02 | -5.998673779927799e-15 | -1.507204467318543e-01 | PASS |
| foss_ppc_autotools: [foss2022a-serial] | -1.049280232293492e-02 | -1.199387811290364e-14 | -3.013537214297398e-01 | PASS |
| foss_cmake: [foss2022a-mpi, foss-min-mpi] | -1.049280232292760e-02 | -4.666406150377611e-15 | -1.172463856878797e-01 | PASS |
| foss_cmake: [foss2023a-mpi, foss-min-mpi] | -1.049280232292760e-02 | -4.666406150377611e-15 | -1.172463856878797e-01 | PASS |
| foss-mpi-min: [foss2022a-mpi] | -1.049280232292604e-02 | -3.112093915902392e-15 | -7.819331446990935e-02 | PASS |
| intel_mpi_autotools: [intel2023a-mpi] | -1.049280232291983e-02 | 3.105155021998485e-15 | 7.801897040197198e-02 | PASS |
| foss-mpi-min: [foss2023a-mpi] | -1.049280232292604e-02 | -3.112093915902392e-15 | -7.819331446990935e-02 | PASS |
| foss_mpi_debug_autotools: [foss2023a-mpi] | -1.049280232292893e-02 | -5.998673779927799e-15 | -1.507204467318543e-01 | PASS |
| foss_mpi_omp_autotools: [foss2023a-mpi] | -1.049280232292693e-02 | -4.000272335602517e-15 | -1.005093551658924e-01 | PASS |
| intel_mpi_omp_autotools: [intel2022a-mpi] | -1.049280232292049e-02 | 2.439021207223391e-15 | 6.128193987998470e-02 | PASS |
| foss_cuda_autotools: [foss2022a-cuda-mpi] | -1.049280232295913e-02 | -3.619674004973206e-14 | -9.094658303952778e-01 | PASS |
| foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi] | -1.049280232295891e-02 | -3.597469544480703e-14 | -9.038868202212821e-01 | PASS |