Match comparison for Hartree energy (match type 29030)
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| 1.021574649900000e+02 | 3.690000000000000e-06 | 1.021574636460000e+02 | 1.668000001586734e-06 | 1.021574658700000e+02 | 2.780000002644556e-06 | 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: 102.15746499000001, precision: 0.00000369| Run | Value | Difference | Relative difference | Status |
| foss-serial-zen4: [foss2023a-serial] | 1.021574630900000e+02 | -1.900000015098158e-06 | -5.149051531431322e-01 | PASS |
| intel-serial: [intel2023a-serial] | 1.021574630900000e+02 | -1.900000015098158e-06 | -5.149051531431322e-01 | PASS |
| foss-serial-debug: [foss2023a-serial] | 1.021574630900000e+02 | -1.900000015098158e-06 | -5.149051531431322e-01 | PASS |
| intel-min-parallel: [intel2022a-mpi] | 1.021574630900000e+02 | -1.900000015098158e-06 | -5.149051531431322e-01 | PASS |
| intel-parallel: [intel2023a-mpi] | 1.021574630900000e+02 | -1.900000015098158e-06 | -5.149051531431322e-01 | PASS |
| foss-parallel-zen4: [foss2023a-mpi] | 1.021574630900000e+02 | -1.900000015098158e-06 | -5.149051531431322e-01 | PASS |
| valgrind: [foss2023a-serial] | 1.021574630900000e+02 | -1.900000015098158e-06 | -5.149051531431322e-01 | PASS |
| foss-min-parallel-zen4: [foss2023a-mpi] | 1.021574630900000e+02 | -1.900000015098158e-06 | -5.149051531431322e-01 | PASS |
| autotools_foss_mpi_omp: [foss2023a-mpi] | 1.021574630900000e+02 | -1.900000015098158e-06 | -5.149051531431322e-01 | PASS |
| foss-serial: [foss2023a-serial] | 1.021574630900000e+02 | -1.900000015098158e-06 | -5.149051531431322e-01 | PASS |
| foss-parallel-debug: [foss2023a-mpi] | 1.021574630900000e+02 | -1.900000015098158e-06 | -5.149051531431322e-01 | PASS |
| ppc: [foss2023a-serial] | 1.021574630900000e+02 | -1.900000015098158e-06 | -5.149051531431322e-01 | PASS |
| cuda: [foss2022a-cuda-mpi, ci-foss-full-cuda] | 1.021574686500000e+02 | 3.659999990190954e-06 | 9.918699160409090e-01 | PASS |
| autotools_intel_mpi_omp: [intel2023a-mpi] | 1.021574630900000e+02 | -1.900000015098158e-06 | -5.149051531431322e-01 | PASS |
| intel-serial-debug: [intel2023a-serial] | 1.021574630900000e+02 | -1.900000015098158e-06 | -5.149051531431322e-01 | PASS |
| foss-parallel: [foss2023a-mpi] | 1.021574630900000e+02 | -1.900000015098158e-06 | -5.149051531431322e-01 | PASS |
| foss-min-parallel: [foss2023b-mpi] | 1.021574630900000e+02 | -1.900000015098158e-06 | -5.149051531431322e-01 | PASS |
| intel-parallel-debug: [intel2023a-mpi] | 1.021574630900000e+02 | -1.900000015098158e-06 | -5.149051531431322e-01 | PASS |
| cuda: [foss2022a-cuda-mpi, ci-foss-full-mpi-omp-cuda] | 1.021574686500000e+02 | 3.659999990190954e-06 | 9.918699160409090e-01 | PASS |
| foss-min-parallel: [foss2022a-mpi] | 1.021574630900000e+02 | -1.900000015098158e-06 | -5.149051531431322e-01 | PASS |