Match comparison for Hartree energy (match type 25867)
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| 1.254766984400000e+02 | 6.270000000000000e-08 | 1.254766983880769e+02 | 2.801362681409559e-08 | 1.254766984350000e+02 | 5.500000099800673e-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: 125.47669844, precision: 0.0000000627| Run | Value | Difference | Relative difference | Status |
| foss-ppc: [foss2022a-serial] | 1.254766983800000e+02 | -6.000000496442226e-08 | -9.569378782204507e-01 | PASS |
| foss-cmake-zen4: [foss2023a-serial, ci-foss-full] | 1.254766983800000e+02 | -6.000000496442226e-08 | -9.569378782204507e-01 | PASS |
| foss-cmake-zen4: [foss2023a-serial, ci-foss-min] | 1.254766983800000e+02 | -6.000000496442226e-08 | -9.569378782204507e-01 | PASS |
| foss-cmake-zen4: [foss2023a-mpi, ci-foss-full-mpi] | 1.254766983800000e+02 | -6.000000496442226e-08 | -9.569378782204507e-01 | PASS |
| foss-cmake-zen4: [foss2023a-mpi, ci-foss-min-mpi] | 1.254766983800000e+02 | -6.000000496442226e-08 | -9.569378782204507e-01 | PASS |
| foss-serial-full: [foss2023a-serial] | 1.254766983800000e+02 | -6.000000496442226e-08 | -9.569378782204507e-01 | PASS |
| intel_omp_autotools: [intel2022a-serial] | 1.254766983800000e+02 | -6.000000496442226e-08 | -9.569378782204507e-01 | PASS |
| intel_omp_autotools: [intel2023a-serial] | 1.254766983800000e+02 | -6.000000496442226e-08 | -9.569378782204507e-01 | PASS |
| foss-serial-debug: [foss2023a-serial] | 1.254766983800000e+02 | -6.000000496442226e-08 | -9.569378782204507e-01 | PASS |
| foss-serial-full: [foss2023b-serial] | 1.254766983800000e+02 | -6.000000496442226e-08 | -9.569378782204507e-01 | PASS |
| foss-opt-full: [foss2023a-serial] | 1.254766983800000e+02 | -6.000000496442226e-08 | -9.569378782204507e-01 | PASS |
| intel_mpi_autotools: [intel2023a-mpi] | 1.254766983800000e+02 | -6.000000496442226e-08 | -9.569378782204507e-01 | PASS |
| intel-serial: [intel2023a-serial] | 1.254766983800000e+02 | -6.000000496442226e-08 | -9.569378782204507e-01 | PASS |
| foss-omp-full: [foss2023a-serial] | 1.254766983800000e+02 | -6.000000496442226e-08 | -9.569378782204507e-01 | PASS |
| foss-mpi-opt-full: [foss2023a-mpi] | 1.254766983800000e+02 | -6.000000496442226e-08 | -9.569378782204507e-01 | PASS |
| foss-mpi-full: [foss2023a-mpi] | 1.254766983800000e+02 | -6.000000496442226e-08 | -9.569378782204507e-01 | PASS |
| foss-mpi-debug: [foss2023a-mpi] | 1.254766983800000e+02 | -6.000000496442226e-08 | -9.569378782204507e-01 | PASS |
| foss-mpi-omp-full: [foss2023a-mpi] | 1.254766983800000e+02 | -6.000000496442226e-08 | -9.569378782204507e-01 | PASS |
| intel_mpi_omp_autotools: [intel2022a-mpi] | 1.254766983800000e+02 | -6.000000496442226e-08 | -9.569378782204507e-01 | PASS |
| foss-serial-min: [foss2023a-serial] | 1.254766983800000e+02 | -6.000000496442226e-08 | -9.569378782204507e-01 | PASS |
| foss-serial-min: [foss2023b-serial] | 1.254766983800000e+02 | -6.000000496442226e-08 | -9.569378782204507e-01 | PASS |
| foss-serial-min: [foss2022a-serial] | 1.254766983800000e+02 | -6.000000496442226e-08 | -9.569378782204507e-01 | PASS |
| foss-mpi-min: [foss2023a-mpi] | 1.254766983800000e+02 | -6.000000496442226e-08 | -9.569378782204507e-01 | PASS |
| foss-mpi-min: [foss2022a-mpi] | 1.254766983800000e+02 | -6.000000496442226e-08 | -9.569378782204507e-01 | PASS |
| cuda-serial: [foss2022a-cuda-mpi] | 1.254766984900000e+02 | 4.999999703159119e-08 | 7.974481185261754e-01 | PASS |
| cuda-mpi-omp: [foss2022a-cuda-mpi] | 1.254766984800000e+02 | 3.999998909876012e-08 | 6.379583588318999e-01 | PASS |