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 | 1.021574635018518e+02 | 1.456116187828582e-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-ppc: [foss2022a-serial] | 1.021574630900000e+02 | -1.900000015098158e-06 | -5.149051531431322e-01 | PASS |
| foss-cmake-zen4: [foss2023a-serial, ci-foss-full] | 1.021574630900000e+02 | -1.900000015098158e-06 | -5.149051531431322e-01 | PASS |
| foss-cmake-zen4: [foss2023a-serial, ci-foss-min] | 1.021574630900000e+02 | -1.900000015098158e-06 | -5.149051531431322e-01 | PASS |
| foss-cmake-zen4: [foss2023a-mpi, ci-foss-full-mpi] | 1.021574630900000e+02 | -1.900000015098158e-06 | -5.149051531431322e-01 | PASS |
| foss-cmake-zen4: [foss2023a-mpi, ci-foss-min-mpi] | 1.021574630900000e+02 | -1.900000015098158e-06 | -5.149051531431322e-01 | PASS |
| foss-serial-full: [foss2023a-serial] | 1.021574630900000e+02 | -1.900000015098158e-06 | -5.149051531431322e-01 | PASS |
| intel_omp_autotools: [intel2022a-serial] | 1.021574630900000e+02 | -1.900000015098158e-06 | -5.149051531431322e-01 | PASS |
| intel_omp_autotools: [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 |
| foss-serial-full: [foss2023b-serial] | 1.021574630900000e+02 | -1.900000015098158e-06 | -5.149051531431322e-01 | PASS |
| foss-opt-full: [foss2023a-serial] | 1.021574630900000e+02 | -1.900000015098158e-06 | -5.149051531431322e-01 | PASS |
| intel_mpi_autotools: [intel2023a-mpi] | 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-omp-full: [foss2023a-serial] | 1.021574630900000e+02 | -1.900000015098158e-06 | -5.149051531431322e-01 | PASS |
| foss-mpi-opt-full: [foss2023a-mpi] | 1.021574630900000e+02 | -1.900000015098158e-06 | -5.149051531431322e-01 | PASS |
| foss-mpi-full: [foss2023a-mpi] | 1.021574630900000e+02 | -1.900000015098158e-06 | -5.149051531431322e-01 | PASS |
| foss-mpi-debug: [foss2023a-mpi] | 1.021574630900000e+02 | -1.900000015098158e-06 | -5.149051531431322e-01 | PASS |
| foss-mpi-omp-full: [foss2023a-mpi] | 1.021574630900000e+02 | -1.900000015098158e-06 | -5.149051531431322e-01 | PASS |
| intel_mpi_omp_autotools: [intel2022a-mpi] | 1.021574630900000e+02 | -1.900000015098158e-06 | -5.149051531431322e-01 | PASS |
| foss-serial-min: [foss2023a-serial] | 1.021574630900000e+02 | -1.900000015098158e-06 | -5.149051531431322e-01 | PASS |
| foss-serial-min: [foss2023b-serial] | 1.021574630900000e+02 | -1.900000015098158e-06 | -5.149051531431322e-01 | PASS |
| foss-serial-min: [foss2022a-serial] | 1.021574630900000e+02 | -1.900000015098158e-06 | -5.149051531431322e-01 | PASS |
| foss-mpi-min: [foss2023a-mpi] | 1.021574630900000e+02 | -1.900000015098158e-06 | -5.149051531431322e-01 | PASS |
| foss-mpi-min: [foss2022a-mpi] | 1.021574630900000e+02 | -1.900000015098158e-06 | -5.149051531431322e-01 | PASS |
| valgrind: [foss2023a-serial] | 1.021574630900000e+02 | -1.900000015098158e-06 | -5.149051531431322e-01 | PASS |
| cuda-serial: [foss2022a-cuda-mpi] | 1.021574686500000e+02 | 3.659999990190954e-06 | 9.918699160409090e-01 | PASS |
| cuda-mpi-omp: [foss2022a-cuda-mpi] | 1.021574686500000e+02 | 3.659999990190954e-06 | 9.918699160409090e-01 | PASS |