Match comparison for Hartree energy (match type 22022)
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| 5.515967250000000e-01 | 1.000000000000000e-07 | 5.515966952941176e-01 | 1.288758961734364e-08 | 5.515966800000001e-01 | 2.000000004498403e-08 | PASS |
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: 0.551596725, precision: 0.0000001| Run | Value | Difference | Relative difference | Status |
| intel-serial: [intel2023a-serial] | 5.515967000000001e-01 | -2.499999995908553e-08 | -2.499999995908553e-01 | PASS |
| foss-serial: [foss2023a-serial] | 5.515967000000001e-01 | -2.499999995908553e-08 | -2.499999995908553e-01 | PASS |
| foss-serial-debug: [foss2023a-serial] | 5.515967000000001e-01 | -2.499999995908553e-08 | -2.499999995908553e-01 | PASS |
| intel-min-parallel: [intel2022a-mpi] | 5.515967000000001e-01 | -2.499999995908553e-08 | -2.499999995908553e-01 | PASS |
| ppc: [foss2023a-serial] | 5.515967000000001e-01 | -2.499999995908553e-08 | -2.499999995908553e-01 | PASS |
| autotools_foss_mpi_omp: [foss2023a-mpi] | 5.515967000000001e-01 | -2.499999995908553e-08 | -2.499999995908553e-01 | PASS |
| foss-parallel-debug: [foss2023a-mpi] | 5.515967000000001e-01 | -2.499999995908553e-08 | -2.499999995908553e-01 | PASS |
| intel-parallel: [intel2023a-mpi] | 5.515967000000001e-01 | -2.499999995908553e-08 | -2.499999995908553e-01 | PASS |
| foss-parallel: [foss2023a-mpi] | 5.515967000000001e-01 | -2.499999995908553e-08 | -2.499999995908553e-01 | PASS |
| foss-min-parallel: [foss2023b-mpi] | 5.515967000000001e-01 | -2.499999995908553e-08 | -2.499999995908553e-01 | PASS |
| autotools_intel_mpi_omp: [intel2023a-mpi] | 5.515967000000001e-01 | -2.499999995908553e-08 | -2.499999995908553e-01 | PASS |
| address-sanitizer: [foss2023a-serial, ci-foss-full] | 5.515967000000001e-01 | -2.499999995908553e-08 | -2.499999995908553e-01 | PASS |
| foss-min-parallel: [foss2022a-mpi] | 5.515967000000001e-01 | -2.499999995908553e-08 | -2.499999995908553e-01 | PASS |
| intel-serial-debug: [intel2023a-serial] | 5.515967000000001e-01 | -2.499999995908553e-08 | -2.499999995908553e-01 | PASS |
| intel-parallel-debug: [intel2023a-mpi] | 5.515967000000001e-01 | -2.499999995908553e-08 | -2.499999995908553e-01 | PASS |
| cuda: [foss2022a-cuda-mpi, ci-foss-full-cuda] | 5.515966600000000e-01 | -6.500000004905360e-08 | -6.500000004905360e-01 | PASS |
| cuda: [foss2022a-cuda-mpi, ci-foss-full-mpi-omp-cuda] | 5.515966600000000e-01 | -6.500000004905360e-08 | -6.500000004905360e-01 | PASS |