Match comparison for Born charge diff w=0.0 (match type 23042)
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| -3.653600000000001e-02 | 1.830000000000000e-05 | -3.048868750000000e-02 | 1.600233084475020e-02 | -1.234100000000000e-02 | 2.419600000000000e-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: -0.036536000000000006, precision: 0.0000183| Run | Value | Difference | Relative difference | Status |
| intel-serial: [intel2023a-serial] | -3.653700000000000e-02 | -9.999999999940612e-07 | -5.464480874284487e-02 | PASS |
| foss-serial: [foss2023a-serial] | -3.653700000000000e-02 | -9.999999999940612e-07 | -5.464480874284487e-02 | PASS |
| foss-serial-debug: [foss2023a-serial] | -3.653700000000000e-02 | -9.999999999940612e-07 | -5.464480874284487e-02 | PASS |
| intel-min-parallel: [intel2022a-mpi] | -3.653700000000000e-02 | -9.999999999940612e-07 | -5.464480874284487e-02 | PASS |
| ppc: [foss2023a-serial] | -3.653700000000000e-02 | -9.999999999940612e-07 | -5.464480874284487e-02 | PASS |
| autotools_foss_mpi_omp: [foss2023a-mpi] | -3.653700000000000e-02 | -9.999999999940612e-07 | -5.464480874284487e-02 | PASS |
| foss-parallel-debug: [foss2023a-mpi] | -3.653700000000000e-02 | -9.999999999940612e-07 | -5.464480874284487e-02 | PASS |
| intel-parallel: [intel2023a-mpi] | -3.653700000000000e-02 | -9.999999999940612e-07 | -5.464480874284487e-02 | PASS |
| foss-parallel: [foss2023a-mpi] | -3.653700000000000e-02 | -9.999999999940612e-07 | -5.464480874284487e-02 | PASS |
| foss-min-parallel: [foss2023b-mpi] | -3.653700000000000e-02 | -9.999999999940612e-07 | -5.464480874284487e-02 | PASS |
| autotools_intel_mpi_omp: [intel2023a-mpi] | -3.653700000000000e-02 | -9.999999999940612e-07 | -5.464480874284487e-02 | PASS |
| address-sanitizer: [foss2023a-serial, ci-foss-full] | -3.653700000000000e-02 | -9.999999999940612e-07 | -5.464480874284487e-02 | PASS |
| intel-serial-debug: [intel2023a-serial] | -3.653700000000000e-02 | -9.999999999940612e-07 | -5.464480874284487e-02 | PASS |
| intel-parallel-debug: [intel2023a-mpi] | -3.653700000000000e-02 | -9.999999999940612e-07 | -5.464480874284487e-02 | PASS |
| cuda: [foss2022a-cuda-mpi, ci-foss-full-cuda] | 1.185500000000000e-02 | 4.839100000000000e-02 | 2.644316939890710e+03 | FAIL |
| cuda: [foss2022a-cuda-mpi, ci-foss-full-mpi-omp-cuda] | 1.184400000000000e-02 | 4.838000000000001e-02 | 2.643715846994536e+03 | FAIL |