Match comparison for Hartree energy (numerical) (match type 31627)
Commits >
Commit f72050fe95608e153e1887ef05d1ad42dc082fde >
Input 10-hartree_pfft.04-3d_3d_periodic.inp
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| 3.497836148185000e-01 | 1.750000000000000e-12 | 3.497836148181824e-01 | 5.551115123125783e-17 | 3.497836148181824e-01 | 5.551115123125783e-17 | 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: 0.3497836148185, precision: 0.00000000000175| Run | Value | Difference | Relative difference | Status |
| foss-cmake-zen4: [foss2023a-mpi, foss-full-mpi] | 3.497836148181824e-01 | -3.176348073452573e-13 | -1.815056041972899e-01 | PASS |
| foss-mpi-full: [foss2023a-mpi] | 3.497836148181824e-01 | -3.176348073452573e-13 | -1.815056041972899e-01 | PASS |
| foss-mpi-opt-full: [foss2023a-mpi] | 3.497836148181824e-01 | -3.176348073452573e-13 | -1.815056041972899e-01 | PASS |
| foss_cmake: [foss2022a-mpi, foss-full-mpi] | 3.497836148181824e-01 | -3.176348073452573e-13 | -1.815056041972899e-01 | PASS |
| foss-mpi-debug: [foss2023a-mpi] | 3.497836148181824e-01 | -3.176348073452573e-13 | -1.815056041972899e-01 | PASS |
| foss_cmake: [foss2023a-mpi, foss-full-mpi] | 3.497836148181824e-01 | -3.176348073452573e-13 | -1.815056041972899e-01 | PASS |
| foss-mpi-omp-full: [foss2023a-mpi] | 3.497836148181824e-01 | -3.176348073452573e-13 | -1.815056041972899e-01 | PASS |
| cuda-mpi-omp: [foss2022a-cuda-mpi] | 3.497836148181825e-01 | -3.175237850427948e-13 | -1.814421628815970e-01 | PASS |