Match comparison for Hartree energy (match type 30568)
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| 4.246899510000000e+00 | 2.120000000000000e-07 | 4.246899485714286e+00 | 2.013559465083220e-08 | 4.246899450000000e+00 | 4.999999969612645e-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: 4.24689951, precision: 0.000000212| Run | Value | Difference | Relative difference | Status |
| foss-cmake-zen4: [foss2023a-serial, foss-full] | 4.246899480000000e+00 | -3.000000070585429e-08 | -1.415094372917655e-01 | PASS |
| foss-cmake-zen4: [foss2023a-mpi, foss-full-mpi] | 4.246899480000000e+00 | -3.000000070585429e-08 | -1.415094372917655e-01 | PASS |
| foss_cmake: [foss2022a-serial, foss-full] | 4.246899490000000e+00 | -2.000000076662900e-08 | -9.433962625768397e-02 | PASS |
| foss-serial-full: [foss2023a-serial] | 4.246899490000000e+00 | -2.000000076662900e-08 | -9.433962625768397e-02 | PASS |
| foss-serial-full: [foss2023b-serial] | 4.246899490000000e+00 | -2.000000076662900e-08 | -9.433962625768397e-02 | PASS |
| foss-opt-full: [foss2023a-serial] | 4.246899490000000e+00 | -2.000000076662900e-08 | -9.433962625768397e-02 | PASS |
| intel_autotools: [intel2023a-serial] | 4.246899490000000e+00 | -2.000000076662900e-08 | -9.433962625768397e-02 | PASS |
| foss-ppc: [foss2022a-serial] | 4.246899500000000e+00 | -1.000000082740371e-08 | -4.716981522360240e-02 | PASS |
| intel_omp_autotools: [intel2022a-serial] | 4.246899500000000e+00 | -1.000000082740371e-08 | -4.716981522360240e-02 | PASS |
| foss_cmake: [foss2022a-mpi, foss-full-mpi] | 4.246899490000000e+00 | -2.000000076662900e-08 | -9.433962625768397e-02 | PASS |
| intel_omp_autotools: [intel2023a-serial] | 4.246899500000000e+00 | -1.000000082740371e-08 | -4.716981522360240e-02 | PASS |
| foss-serial-debug: [foss2023a-serial] | 4.246899490000000e+00 | -2.000000076662900e-08 | -9.433962625768397e-02 | PASS |
| foss_cmake: [foss2023a-mpi, foss-full-mpi] | 4.246899490000000e+00 | -2.000000076662900e-08 | -9.433962625768397e-02 | PASS |
| foss-mpi-full: [foss2023a-mpi] | 4.246899490000000e+00 | -2.000000076662900e-08 | -9.433962625768397e-02 | PASS |
| foss-omp-full: [foss2023a-serial] | 4.246899480000000e+00 | -3.000000070585429e-08 | -1.415094372917655e-01 | PASS |
| foss-mpi-opt-full: [foss2023a-mpi] | 4.246899490000000e+00 | -2.000000076662900e-08 | -9.433962625768397e-02 | PASS |
| intel_mpi_autotools: [intel2023a-mpi] | 4.246899490000000e+00 | -2.000000076662900e-08 | -9.433962625768397e-02 | PASS |
| foss-mpi-debug: [foss2023a-mpi] | 4.246899490000000e+00 | -2.000000076662900e-08 | -9.433962625768397e-02 | PASS |
| foss-mpi-omp-full: [foss2023a-mpi] | 4.246899480000000e+00 | -3.000000070585429e-08 | -1.415094372917655e-01 | PASS |
| intel_mpi_omp_autotools: [intel2022a-mpi] | 4.246899500000000e+00 | -1.000000082740371e-08 | -4.716981522360240e-02 | PASS |
| foss_cuda_autotools: [foss2022a-cuda-mpi] | 4.246899400000000e+00 | -1.100000002196566e-07 | -5.188679255644180e-01 | PASS |