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 | 5.515966973333332e-01 | 9.977753053839159e-09 | 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 |
| foss_min_autotools: [foss2022a-serial] | 5.515967000000001e-01 | -2.499999995908553e-08 | -2.499999995908553e-01 | PASS |
| foss_min_autotools: [foss2023a-serial] | 5.515967000000001e-01 | -2.499999995908553e-08 | -2.499999995908553e-01 | PASS |
| foss_min_autotools: [foss2023b-serial] | 5.515967000000001e-01 | -2.499999995908553e-08 | -2.499999995908553e-01 | PASS |
| foss_opt_autotools: [foss2023a-serial] | 5.515967000000001e-01 | -2.499999995908553e-08 | -2.499999995908553e-01 | PASS |
| foss_autotools: [foss2022a-serial] | 5.515967000000001e-01 | -2.499999995908553e-08 | -2.499999995908553e-01 | PASS |
| foss_autotools: [foss2023a-serial] | 5.515967000000001e-01 | -2.499999995908553e-08 | -2.499999995908553e-01 | PASS |
| foss_cmake: [foss2022a-serial, foss-min] | 5.515967000000001e-01 | -2.499999995908553e-08 | -2.499999995908553e-01 | PASS |
| intel_autotools: [intel2023a-serial] | 5.515967000000001e-01 | -2.499999995908553e-08 | -2.499999995908553e-01 | PASS |
| foss_autotools: [foss2023b-serial] | 5.515967000000001e-01 | -2.499999995908553e-08 | -2.499999995908553e-01 | PASS |
| foss_cmake: [foss2022a-serial, foss-full] | 5.515967000000001e-01 | -2.499999995908553e-08 | -2.499999995908553e-01 | PASS |
| foss_mpi_min_autotools: [foss2023a-mpi] | 5.515967000000001e-01 | -2.499999995908553e-08 | -2.499999995908553e-01 | PASS |
| foss_omp_autotools: [foss2023a-serial] | 5.515967000000001e-01 | -2.499999995908553e-08 | -2.499999995908553e-01 | PASS |
| foss_cmake_mpi_min: [foss2022a-mpi] | 5.515967000000001e-01 | -2.499999995908553e-08 | -2.499999995908553e-01 | PASS |
| foss_mpi_opt_autotools: [foss2023a-mpi] | 5.515967000000001e-01 | -2.499999995908553e-08 | -2.499999995908553e-01 | PASS |
| foss_mpi_min_autotools: [foss2022a-mpi] | 5.515967000000001e-01 | -2.499999995908553e-08 | -2.499999995908553e-01 | PASS |
| foss_mpi_autotools: [foss2023a-mpi] | 5.515967000000001e-01 | -2.499999995908553e-08 | -2.499999995908553e-01 | PASS |
| foss_mpi_autotools: [foss2022a-mpi] | 5.515967000000001e-01 | -2.499999995908553e-08 | -2.499999995908553e-01 | PASS |
| intel_omp_autotools: [intel2022a-serial] | 5.515967000000001e-01 | -2.499999995908553e-08 | -2.499999995908553e-01 | PASS |
| foss_debug_autotools: [foss2023a-serial] | 5.515967000000001e-01 | -2.499999995908553e-08 | -2.499999995908553e-01 | PASS |
| foss_cmake_mpi_min: [foss2023a-mpi] | 5.515967000000001e-01 | -2.499999995908553e-08 | -2.499999995908553e-01 | PASS |
| foss_cmake: [foss2022a-mpi, foss-full-mpi] | 5.515967000000001e-01 | -2.499999995908553e-08 | -2.499999995908553e-01 | PASS |
| intel_omp_autotools: [intel2023a-serial] | 5.515967000000001e-01 | -2.499999995908553e-08 | -2.499999995908553e-01 | PASS |
| foss_cmake: [foss2023a-mpi, foss-full-mpi] | 5.515967000000001e-01 | -2.499999995908553e-08 | -2.499999995908553e-01 | PASS |
| foss_ppc_autotools: [foss2022a-serial] | 5.515967000000001e-01 | -2.499999995908553e-08 | -2.499999995908553e-01 | PASS |
| foss_mpi_debug_autotools: [foss2023a-mpi] | 5.515967000000001e-01 | -2.499999995908553e-08 | -2.499999995908553e-01 | PASS |
| foss_mpi_omp_autotools: [foss2023a-mpi] | 5.515967000000001e-01 | -2.499999995908553e-08 | -2.499999995908553e-01 | PASS |
| intel_mpi_omp_autotools: [intel2022a-mpi] | 5.515967000000001e-01 | -2.499999995908553e-08 | -2.499999995908553e-01 | PASS |
| foss_cuda_autotools: [foss2022a-cuda-mpi] | 5.515966600000000e-01 | -6.500000004905360e-08 | -6.500000004905360e-01 | PASS |
| foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi] | 5.515966600000000e-01 | -6.500000004905360e-08 | -6.500000004905360e-01 | PASS |
| intel_mpi_autotools: [intel2023a-mpi] | 5.515967000000001e-01 | -2.499999995908553e-08 | -2.499999995908553e-01 | PASS |