Match comparison for Born charge diff w=0.0 (match type 22436)
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| 2.902100000000001e-02 | 1.450000000000000e-05 | 1.901566666666667e-02 | 2.829935619212721e-02 | -1.600300000000000e-02 | 4.502400000000000e-02 | FAIL |
Checks for this match
- GPU builders have different values.
- Precision seems too large.
- Mid point of values far away from reference. Recentering may be necessary.
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Detailed information
Reference: 0.029021000000000005, precision: 0.0000145| Run | Value | Difference | Relative difference | Status |
| foss-serial-zen4: [foss2023a-serial] | 2.902100000000000e-02 | -3.469446951953614e-18 | -2.392722035830079e-13 | PASS |
| intel-serial: [intel2023a-serial] | 2.902100000000000e-02 | -3.469446951953614e-18 | -2.392722035830079e-13 | PASS |
| foss-serial-debug: [foss2023a-serial] | 2.902100000000000e-02 | -3.469446951953614e-18 | -2.392722035830079e-13 | PASS |
| intel-min-parallel: [intel2022a-mpi] | 2.902100000000000e-02 | -3.469446951953614e-18 | -2.392722035830079e-13 | PASS |
| intel-parallel: [intel2023a-mpi] | 2.902100000000000e-02 | -3.469446951953614e-18 | -2.392722035830079e-13 | PASS |
| foss-parallel-zen4: [foss2023a-mpi] | 2.902100000000000e-02 | -3.469446951953614e-18 | -2.392722035830079e-13 | PASS |
| foss-min-parallel-zen4: [foss2023a-mpi] | 2.902100000000000e-02 | -3.469446951953614e-18 | -2.392722035830079e-13 | PASS |
| autotools_foss_mpi_omp: [foss2023a-mpi] | 2.902100000000000e-02 | -3.469446951953614e-18 | -2.392722035830079e-13 | PASS |
| foss-serial: [foss2023a-serial] | 2.902100000000000e-02 | -3.469446951953614e-18 | -2.392722035830079e-13 | PASS |
| foss-parallel-debug: [foss2023a-mpi] | 2.902100000000000e-02 | -3.469446951953614e-18 | -2.392722035830079e-13 | PASS |
| ppc: [foss2023a-serial] | 2.902100000000000e-02 | -3.469446951953614e-18 | -2.392722035830079e-13 | PASS |
| cuda: [foss2022a-cuda-mpi, ci-foss-full-cuda] | -6.102700000000000e-02 | -9.004800000000000e-02 | -6.210206896551725e+03 | FAIL |
| autotools_intel_mpi_omp: [intel2023a-mpi] | 2.902100000000000e-02 | -3.469446951953614e-18 | -2.392722035830079e-13 | PASS |
| intel-serial-debug: [intel2023a-serial] | 2.902100000000000e-02 | -3.469446951953614e-18 | -2.392722035830079e-13 | PASS |
| foss-parallel: [foss2023a-mpi] | 2.902100000000000e-02 | -3.469446951953614e-18 | -2.392722035830079e-13 | PASS |
| foss-min-parallel: [foss2023b-mpi] | 2.902100000000000e-02 | -3.469446951953614e-18 | -2.392722035830079e-13 | PASS |
| intel-parallel-debug: [intel2023a-mpi] | 2.902100000000000e-02 | -3.469446951953614e-18 | -2.392722035830079e-13 | PASS |
| cuda: [foss2022a-cuda-mpi, ci-foss-full-mpi-omp-cuda] | -6.102700000000000e-02 | -9.004800000000000e-02 | -6.210206896551725e+03 | FAIL |