Match comparison for Exchange energy (match type 11765)
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| -2.628949545900000e+02 | 1.310000000000000e-07 | -2.628949453421052e+02 | 6.837025550711740e-05 | -2.628948585350000e+02 | 1.893650000113212e-04 | 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: -262.89495459, precision: 0.000000131| Run | Value | Difference | Relative difference | Status |
| foss-serial-zen4: [foss2023a-serial] | -2.628949545900000e+02 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| intel-serial: [intel2023a-serial] | -2.628949545900000e+02 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| foss-serial-debug: [foss2023a-serial] | -2.628949545900000e+02 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| intel-min-parallel: [intel2022a-mpi] | -2.628949545900000e+02 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| intel-parallel: [intel2023a-mpi] | -2.628949545900000e+02 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| foss-parallel-zen4: [foss2023a-mpi] | -2.628949545900000e+02 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| foss-min-parallel-zen4: [foss2023a-mpi] | -2.628949545900000e+02 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| autotools_foss_mpi_omp: [foss2023a-mpi] | -2.628949545900000e+02 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| foss-serial: [foss2023a-serial] | -2.628949545900000e+02 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| foss-parallel-debug: [foss2023a-mpi] | -2.628949545900000e+02 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| ppc: [foss2023a-serial] | -2.628949545900000e+02 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| cuda: [foss2022a-cuda-mpi, ci-foss-full-cuda] | -2.628950479000000e+02 | -9.331000001111533e-05 | -7.122900764207278e+02 | FAIL |
| autotools_intel_mpi_omp: [intel2023a-mpi] | -2.628949545900000e+02 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| intel-serial-debug: [intel2023a-serial] | -2.628949545900000e+02 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| foss-parallel: [foss2023a-mpi] | -2.628949545900000e+02 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| foss-min-parallel: [foss2023b-mpi] | -2.628949545900000e+02 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| intel-parallel-debug: [intel2023a-mpi] | -2.628949545900000e+02 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| cuda: [foss2022a-cuda-mpi, ci-foss-full-mpi-omp-cuda] | -2.628949709900000e+02 | -1.639999999270003e-05 | -1.251908396389315e+02 | FAIL |
| foss-min-parallel: [foss2022a-mpi] | -2.628946691700000e+02 | 2.854200000115270e-04 | 2.178778626042191e+03 | FAIL |