Match comparison for Hartree energy (match type 30146)
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| 1.109311722100000e+02 | 5.550000000000000e-08 | 1.109311722118750e+02 | 3.903121298620907e-09 | 1.109311722150000e+02 | 4.999996860988176e-09 | PASS |
Checks for this match
- OpenMP builders have different values.
- Mid point of values far away from reference. Recentering may be necessary.
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Detailed information
Reference: 110.93117221, precision: 0.0000000555| Run | Value | Difference | Relative difference | Status |
| intel-serial: [intel2023a-serial] | 1.109311722100000e+02 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| foss-serial: [foss2023a-serial] | 1.109311722100000e+02 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| foss-serial-debug: [foss2023a-serial] | 1.109311722100000e+02 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| intel-min-parallel: [intel2022a-mpi] | 1.109311722100000e+02 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| ppc: [foss2023a-serial] | 1.109311722200000e+02 | 9.999993721976352e-09 | 1.801800670626370e-01 | PASS |
| autotools_foss_mpi_omp: [foss2023a-mpi] | 1.109311722100000e+02 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| foss-parallel-debug: [foss2023a-mpi] | 1.109311722100000e+02 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| intel-parallel: [intel2023a-mpi] | 1.109311722200000e+02 | 9.999993721976352e-09 | 1.801800670626370e-01 | PASS |
| foss-parallel: [foss2023a-mpi] | 1.109311722100000e+02 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| foss-min-parallel: [foss2023b-mpi] | 1.109311722100000e+02 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| autotools_intel_mpi_omp: [intel2023a-mpi] | 1.109311722100000e+02 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| address-sanitizer: [foss2023a-serial, ci-foss-full] | 1.109311722100000e+02 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| foss-min-parallel: [foss2022a-mpi] | 1.109311722100000e+02 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| intel-serial-debug: [intel2023a-serial] | 1.109311722100000e+02 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| cuda: [foss2022a-cuda-mpi, ci-foss-full-cuda] | 1.109311722200000e+02 | 9.999993721976352e-09 | 1.801800670626370e-01 | PASS |
| cuda: [foss2022a-cuda-mpi, ci-foss-full-mpi-omp-cuda] | 1.109311722100000e+02 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |