Match comparison for Hartree energy (numerical) (match type 31625)
Commits >
Commit b5af8743e2ea06a4f564dab9b293c80c368f10c2 >
Input 05-hartree_3d_fft.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 | 1.541621727718525e-15 | 3.497836148181831e-01 | 1.887379141862766e-15 | PASS |
Checks for this match
- MPI 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, ci-foss-full-mpi] | 3.497836148181824e-01 | -3.176348073452573e-13 | -1.815056041972899e-01 | PASS |
| foss-cmake-zen4: [foss2023a-serial, ci-foss-min] | 3.497836148181812e-01 | -3.188005415211137e-13 | -1.821717380120650e-01 | PASS |
| foss-cmake-zen4: [foss2023a-mpi, ci-foss-min-mpi] | 3.497836148181850e-01 | -3.150257832373882e-13 | -1.800147332785075e-01 | PASS |
| foss-cmake-zen4: [foss2023a-serial, ci-foss-full] | 3.497836148181812e-01 | -3.188005415211137e-13 | -1.821717380120650e-01 | PASS |