Match comparison for Hubbard energy (match type 25739)
Commits >
Commit 693a0d35b3d26ba3cd9b2465c2841d04084addbc >
Input 08-loewdin.03-intersite_domains.inp
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| -1.265338900000000e-01 | 6.330000000000000e-08 | -1.247934370588236e-01 | 4.436864781611351e-03 | -1.192081900000000e-01 | 7.325700000000004e-03 | FAIL |
Checks for this match
- GPU builders have different values.
- Mid point of values far away from reference. Recentering may be necessary.
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Detailed information
Reference: -0.12653389, precision: 0.0000000633| Run | Value | Difference | Relative difference | Status |
| intel-serial: [intel2023a-serial] | -1.265338900000000e-01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| foss-serial: [foss2023a-serial] | -1.265338900000000e-01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| foss-serial-debug: [foss2023a-serial] | -1.265338900000000e-01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| intel-min-parallel: [intel2022a-mpi] | -1.265338900000000e-01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| ppc: [foss2023a-serial] | -1.265338900000000e-01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| autotools_foss_mpi_omp: [foss2023a-mpi] | -1.265338900000000e-01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| foss-parallel-debug: [foss2023a-mpi] | -1.265338900000000e-01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| intel-parallel: [intel2023a-mpi] | -1.265338900000000e-01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| foss-parallel: [foss2023a-mpi] | -1.265338900000000e-01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| foss-min-parallel: [foss2023b-mpi] | -1.265338900000000e-01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| autotools_intel_mpi_omp: [intel2023a-mpi] | -1.265338900000000e-01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| address-sanitizer: [foss2023a-serial, ci-foss-full] | -1.265338900000000e-01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| foss-min-parallel: [foss2022a-mpi] | -1.245404100000000e-01 | 1.993480000000006e-03 | 3.149257503949456e+04 | FAIL |
| intel-serial-debug: [intel2023a-serial] | -1.265338900000000e-01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| intel-parallel-debug: [intel2023a-mpi] | -1.265338900000000e-01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| cuda: [foss2022a-cuda-mpi, ci-foss-full-cuda] | -1.118824900000000e-01 | 1.465140000000001e-02 | 2.314597156398105e+05 | FAIL |
| cuda: [foss2022a-cuda-mpi, ci-foss-full-mpi-omp-cuda] | -1.135910700000000e-01 | 1.294282000000001e-02 | 2.044679304897315e+05 | FAIL |