Match comparison for Hartree energy (numerical) (match type 31626)
Commits >
Commit 3ff81eb5eec95766bdf8121dc6f386e6a0ee7d9a >
Input 05-hartree_3d_fft.05-3d_2d_periodic.inp
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| 3.871004614453000e-01 | 1.940000000000000e-12 | 3.871004614452607e-01 | 3.140184917367550e-16 | 3.871004614452606e-01 | 3.330669073875470e-16 | PASS |
Checks for this match
- MPI builders have different values.
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Detailed information
Reference: 0.3871004614453, precision: 0.00000000000194| Run | Value | Difference | Relative difference | Status |
| foss-serial-full: [foss2023a-serial] | 3.871004614452609e-01 | -3.913536161803677e-14 | -2.017286681342102e-02 | PASS |
| foss-cmake-zen4: [foss2023a-mpi, foss-full-mpi] | 3.871004614452602e-01 | -3.980149543281186e-14 | -2.051623475918138e-02 | PASS |
| foss-cmake-zen4: [foss2023a-serial, foss-full] | 3.871004614452609e-01 | -3.913536161803677e-14 | -2.017286681342102e-02 | PASS |