Match comparison for Born charge 1 ZZ w=0.1 (match type 23044)
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| -2.812991000000000e+00 | 1.410000000000000e-05 | -2.804483526315789e+00 | 3.401114436764330e-02 | -2.736845000000000e+00 | 7.638600000000006e-02 | FAIL |
Checks for this match
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Detailed information
Reference: -2.8129910000000002, precision: 0.0000141| Run | Value | Difference | Relative difference | Status |
| foss-serial-zen4: [foss2023a-serial] | -2.812991000000000e+00 | 4.440892098500626e-16 | 3.149568864184841e-11 | PASS |
| intel-serial: [intel2023a-serial] | -2.812991000000000e+00 | 4.440892098500626e-16 | 3.149568864184841e-11 | PASS |
| foss-serial-debug: [foss2023a-serial] | -2.812991000000000e+00 | 4.440892098500626e-16 | 3.149568864184841e-11 | PASS |
| intel-min-parallel: [intel2022a-mpi] | -2.812991000000000e+00 | 4.440892098500626e-16 | 3.149568864184841e-11 | PASS |
| intel-parallel: [intel2023a-mpi] | -2.812991000000000e+00 | 4.440892098500626e-16 | 3.149568864184841e-11 | PASS |
| foss-parallel-zen4: [foss2023a-mpi] | -2.812991000000000e+00 | 4.440892098500626e-16 | 3.149568864184841e-11 | PASS |
| foss-min-parallel-zen4: [foss2023a-mpi] | -2.812991000000000e+00 | 4.440892098500626e-16 | 3.149568864184841e-11 | PASS |
| autotools_foss_mpi_omp: [foss2023a-mpi] | -2.812992000000000e+00 | -9.999999996956888e-07 | -7.092198579402048e-02 | PASS |
| foss-serial: [foss2023a-serial] | -2.812991000000000e+00 | 4.440892098500626e-16 | 3.149568864184841e-11 | PASS |
| foss-parallel-debug: [foss2023a-mpi] | -2.812992000000000e+00 | -9.999999996956888e-07 | -7.092198579402048e-02 | PASS |
| ppc: [foss2023a-serial] | -2.812991000000000e+00 | 4.440892098500626e-16 | 3.149568864184841e-11 | PASS |
| cuda: [foss2022a-cuda-mpi, ci-foss-full-cuda] | -2.813231000000000e+00 | -2.399999999997959e-04 | -1.702127659573021e+01 | FAIL |
| autotools_intel_mpi_omp: [intel2023a-mpi] | -2.812991000000000e+00 | 4.440892098500626e-16 | 3.149568864184841e-11 | PASS |
| intel-serial-debug: [intel2023a-serial] | -2.812991000000000e+00 | 4.440892098500626e-16 | 3.149568864184841e-11 | PASS |
| foss-parallel: [foss2023a-mpi] | -2.812992000000000e+00 | -9.999999996956888e-07 | -7.092198579402048e-02 | PASS |
| foss-min-parallel: [foss2023b-mpi] | -2.812992000000000e+00 | -9.999999996956888e-07 | -7.092198579402048e-02 | PASS |
| intel-parallel-debug: [intel2023a-mpi] | -2.812991000000000e+00 | 4.440892098500626e-16 | 3.149568864184841e-11 | PASS |
| cuda: [foss2022a-cuda-mpi, ci-foss-full-mpi-omp-cuda] | -2.803637000000000e+00 | 9.354000000000084e-03 | 6.634042553191549e+02 | FAIL |
| foss-min-parallel: [foss2022a-mpi] | -2.660459000000000e+00 | 1.525320000000003e-01 | 1.081787234042556e+04 | FAIL |