Match comparison for Force 2 (y) (match type 31102)
Commits >
Commit 584f61e8603689505e758f366f49c21c2e481def >
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 | 7.808017493529412e-16 | 1.862901780564058e-15 | 1.327361615000000e-15 | 2.969196065000000e-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-min] | 1.082196400000000e-15 | -8.414086499999998e-16 | -2.196889425587467e-01 | PASS |
| foss-cmake-zen4: [foss2023a-serial, foss-full] | -1.185656390000000e-15 | -3.109261440000000e-15 | -8.118176083550913e-01 | PASS |
| foss-cmake-zen4: [foss2023a-mpi, foss-full-mpi] | 2.135390390000000e-15 | 2.117853400000003e-16 | 5.529643342036560e-02 | PASS |
| foss-cmake-zen4: [foss2023a-mpi, foss-min-mpi] | 1.650426760000000e-15 | -2.731782899999997e-16 | -7.132592428198427e-02 | PASS |
| foss_cmake: [foss2022a-serial, foss-min] | -1.641834450000000e-15 | -3.565439500000000e-15 | -9.309241514360312e-01 | PASS |
| foss-serial-min: [foss2023a-serial] | -1.641834450000000e-15 | -3.565439500000000e-15 | -9.309241514360312e-01 | PASS |
| foss-serial-min: [foss2022a-serial] | -1.641834450000000e-15 | -3.565439500000000e-15 | -9.309241514360312e-01 | PASS |
| foss_cmake: [foss2022a-serial, foss-full] | -1.641834450000000e-15 | -3.565439500000000e-15 | -9.309241514360312e-01 | PASS |
| foss-serial-min: [foss2023b-serial] | -1.641834450000000e-15 | -3.565439500000000e-15 | -9.309241514360312e-01 | PASS |
| foss_autotools: [foss2022a-serial] | -1.641834450000000e-15 | -3.565439500000000e-15 | -9.309241514360312e-01 | PASS |
| foss_autotools: [foss2023a-serial] | -1.641834450000000e-15 | -3.565439500000000e-15 | -9.309241514360312e-01 | PASS |
| intel_autotools: [intel2023a-serial] | 1.139252540000000e-15 | -7.843525099999998e-16 | -2.047917780678850e-01 | PASS |
| foss_autotools: [foss2023b-serial] | -1.641834450000000e-15 | -3.565439500000000e-15 | -9.309241514360312e-01 | PASS |
| foss-opt-full: [foss2023a-serial] | -1.641834450000000e-15 | -3.565439500000000e-15 | -9.309241514360312e-01 | PASS |
| foss_cmake: [foss2022a-mpi, foss-full-mpi] | 2.561834210000000e-15 | 6.382291600000003e-16 | 1.666394673629243e-01 | PASS |
| foss-serial-debug: [foss2023a-serial] | -1.641834450000000e-15 | -3.565439500000000e-15 | -9.309241514360312e-01 | PASS |
| intel_omp_autotools: [intel2022a-serial] | 7.217262810000000e-16 | -1.201878769000000e-15 | -3.138064671018276e-01 | PASS |
| intel_omp_autotools: [intel2023a-serial] | 1.572960510000000e-15 | -3.506445399999999e-16 | -9.155209921671015e-02 | PASS |
| foss-omp-full: [foss2023a-serial] | 1.902259820000000e-15 | -2.134522999999991e-17 | -5.573167101827653e-03 | PASS |
| foss_mpi_opt_autotools: [foss2023a-mpi] | 2.561834210000000e-15 | 6.382291600000003e-16 | 1.666394673629243e-01 | PASS |
| foss_cmake: [foss2023a-mpi, foss-full-mpi] | 2.561834210000000e-15 | 6.382291600000003e-16 | 1.666394673629243e-01 | PASS |
| foss_mpi_autotools: [foss2022a-mpi] | 2.561834210000000e-15 | 6.382291600000003e-16 | 1.666394673629243e-01 | PASS |
| foss_mpi_autotools: [foss2023a-mpi] | 2.561834210000000e-15 | 6.382291600000003e-16 | 1.666394673629243e-01 | PASS |
| foss_ppc_autotools: [foss2022a-serial] | 4.296557680000000e-15 | 2.372952630000000e-15 | 6.195698772845953e-01 | PASS |
| foss_cmake: [foss2023a-mpi, foss-min-mpi] | 2.561834210000000e-15 | 6.382291600000003e-16 | 1.666394673629243e-01 | PASS |
| foss_cmake: [foss2022a-mpi, foss-min-mpi] | 2.561834210000000e-15 | 6.382291600000003e-16 | 1.666394673629243e-01 | PASS |
| foss-mpi-min: [foss2022a-mpi] | 2.561834210000000e-15 | 6.382291600000003e-16 | 1.666394673629243e-01 | PASS |
| intel_mpi_autotools: [intel2023a-mpi] | -3.099734010000000e-16 | -2.233578451000000e-15 | -5.831797522193211e-01 | PASS |
| foss-mpi-min: [foss2023a-mpi] | 2.561834210000000e-15 | 6.382291600000003e-16 | 1.666394673629243e-01 | PASS |
| foss_mpi_debug_autotools: [foss2023a-mpi] | 2.561834210000000e-15 | 6.382291600000003e-16 | 1.666394673629243e-01 | PASS |
| foss_mpi_omp_autotools: [foss2023a-mpi] | -8.293604520000000e-16 | -2.752965502000000e-15 | -7.187899483028719e-01 | PASS |
| intel_mpi_omp_autotools: [intel2022a-mpi] | 2.019109710000000e-15 | 9.550466000000002e-17 | 2.493594255874674e-02 | PASS |
| foss_cuda_autotools: [foss2022a-cuda-mpi] | 1.767927170000000e-15 | -1.556778799999998e-16 | -4.064696605744120e-02 | PASS |
| foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi] | 1.384444860000000e-15 | -5.391601899999998e-16 | -1.407728955613576e-01 | PASS |