Match comparison for Forces [step 10] (match type 22546)
Commits >
Commit 008ad309696fa333cadd72656d8ad6622d802226 >
Input 05-time_propagation.06-td_fast_md.inp
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| -9.391687584811126e-03 | 3.720000000000000e-14 | -9.391687584814630e-03 | 9.169970792736004e-15 | -9.391687584821673e-03 | 2.331468351712829e-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: -0.009391687584811126, precision: 0.0000000000000372| Run | Value | Difference | Relative difference | Status |
| foss-cmake-zen4: [foss2023a-serial, foss-min] | -9.391687584815456e-03 | -4.329869796038111e-15 | -1.163943493558632e-01 | PASS |
| foss-cmake-zen4: [foss2023a-serial, foss-full] | -9.391687584815456e-03 | -4.329869796038111e-15 | -1.163943493558632e-01 | PASS |
| foss-ppc: [foss2022a-serial] | -9.391687584825226e-03 | -1.409983241273949e-14 | -3.790277530306314e-01 | PASS |
| intel_omp_autotools: [intel2023a-serial] | -9.391687584800801e-03 | 1.032507412901396e-14 | 2.775557561562891e-01 | PASS |
| intel_omp_autotools: [intel2022a-serial] | -9.391687584800801e-03 | 1.032507412901396e-14 | 2.775557561562891e-01 | PASS |
| foss-cmake-zen4: [foss2023a-mpi, foss-full-mpi] | -9.391687584813457e-03 | -2.331468351712829e-15 | -6.267388042238786e-02 | PASS |
| foss-serial-debug: [foss2023a-serial] | -9.391687584813013e-03 | -1.887379141862766e-15 | -5.073599843717113e-02 | PASS |
| foss-cmake-zen4: [foss2023a-mpi, foss-min-mpi] | -9.391687584810127e-03 | 9.992007221626409e-16 | 2.686023446673766e-02 | PASS |
| intel_mpi_autotools: [intel2023a-mpi] | -9.391687584807906e-03 | 3.219646771412954e-15 | 8.654964439282134e-02 | PASS |
| foss-serial-full: [foss2023a-serial] | -9.391687584813013e-03 | -1.887379141862766e-15 | -5.073599843717113e-02 | PASS |
| foss-serial-full: [foss2023b-serial] | -9.391687584813013e-03 | -1.887379141862766e-15 | -5.073599843717113e-02 | PASS |
| foss-serial-min: [foss2022a-serial] | -9.391687584813013e-03 | -1.887379141862766e-15 | -5.073599843717113e-02 | PASS |
| foss-serial-min: [foss2023a-serial] | -9.391687584813013e-03 | -1.887379141862766e-15 | -5.073599843717113e-02 | PASS |
| foss-serial-min: [foss2023b-serial] | -9.391687584813013e-03 | -1.887379141862766e-15 | -5.073599843717113e-02 | PASS |
| foss-opt-full: [foss2023a-serial] | -9.391687584814123e-03 | -2.997602166487923e-15 | -8.058070340021298e-02 | PASS |
| foss_cmake: [foss2022a-serial, foss-min] | -9.391687584814123e-03 | -2.997602166487923e-15 | -8.058070340021298e-02 | PASS |
| intel-serial: [intel2023a-serial] | -9.391687584798358e-03 | 1.276756478318930e-14 | 3.432141070749812e-01 | PASS |
| foss_cmake: [foss2022a-serial, foss-full] | -9.391687584814123e-03 | -2.997602166487923e-15 | -8.058070340021298e-02 | PASS |
| foss-omp-full: [foss2023a-serial] | -9.391687584813013e-03 | -1.887379141862766e-15 | -5.073599843717113e-02 | PASS |
| foss-mpi-opt-full: [foss2023a-mpi] | -9.391687584815234e-03 | -4.107825191113079e-15 | -1.104254083632548e-01 | PASS |
| foss-mpi-full: [foss2023a-mpi] | -9.391687584816344e-03 | -5.218048215738236e-15 | -1.402701133262967e-01 | PASS |
| foss_cmake: [foss2022a-mpi, foss-full-mpi] | -9.391687584815234e-03 | -4.107825191113079e-15 | -1.104254083632548e-01 | PASS |
| foss_cmake: [foss2023a-mpi, foss-full-mpi] | -9.391687584815234e-03 | -4.107825191113079e-15 | -1.104254083632548e-01 | PASS |
| foss-mpi-debug: [foss2023a-mpi] | -9.391687584816344e-03 | -5.218048215738236e-15 | -1.402701133262967e-01 | PASS |
| foss-mpi-min: [foss2022a-mpi] | -9.391687584813235e-03 | -2.109423746787797e-15 | -5.670493942977950e-02 | PASS |
| foss_cmake: [foss2022a-mpi, foss-min-mpi] | -9.391687584813235e-03 | -2.109423746787797e-15 | -5.670493942977950e-02 | PASS |
| foss-mpi-min: [foss2023a-mpi] | -9.391687584813235e-03 | -2.109423746787797e-15 | -5.670493942977950e-02 | PASS |
| foss_cmake: [foss2023a-mpi, foss-min-mpi] | -9.391687584813235e-03 | -2.109423746787797e-15 | -5.670493942977950e-02 | PASS |
| intel_mpi_omp_autotools: [intel2022a-mpi] | -9.391687584809905e-03 | 1.221245327087672e-15 | 3.282917545934603e-02 | PASS |
| foss-mpi-omp-full: [foss2023a-mpi] | -9.391687584816566e-03 | -5.440092820663267e-15 | -1.462390543189050e-01 | PASS |
| foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi] | -9.391687584844988e-03 | -3.386180225106727e-14 | -9.102635013727761e-01 | PASS |
| cuda-serial: [foss2022a-cuda-mpi] | -9.391687584844322e-03 | -3.319566843629218e-14 | -8.923566783949510e-01 | PASS |