Match comparison for Total energy (match type 418)
Commits >
Commit 3ff81eb5eec95766bdf8121dc6f386e6a0ee7d9a >
Input 01-quadratic_box.03-hartree+xc.inp
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| 3.354007440000000e+00 | 1.000000000000000e-05 | 3.354003610000000e+00 | 0.000000000000000e+00 | 3.354003610000000e+00 | 0.000000000000000e+00 | PASS |
Checks for this match
- Mid point of values far away from reference. Recentering may be necessary.
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Detailed information
Reference: 3.35400744, precision: 0.00001| Run | Value | Difference | Relative difference | Status |
| foss-serial-full: [foss2023a-serial] | 3.354003610000000e+00 | -3.830000000260014e-06 | -3.830000000260014e-01 | PASS |
| foss_cmake: [foss2022a-serial, foss-full] | 3.354003610000000e+00 | -3.830000000260014e-06 | -3.830000000260014e-01 | PASS |
| foss-cmake-zen4: [foss2023a-mpi, foss-full-mpi] | 3.354003610000000e+00 | -3.830000000260014e-06 | -3.830000000260014e-01 | PASS |
| foss-cmake-zen4: [foss2023a-serial, foss-full] | 3.354003610000000e+00 | -3.830000000260014e-06 | -3.830000000260014e-01 | PASS |