Match comparison for y (H2) (t=400 au) (match type 26057)
Commits >
Commit 9a893b9dbe73f1d3f49cd24e2707361da541a5ca >
Input 11-dftbplus_ehrenfest.01-benzene.inp
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| 2.434725530000000e+00 | 1.000000000000000e-04 | 2.434731949455775e+00 | 3.697426062476454e-14 | 2.434731949455791e+00 | 5.351274978693255e-14 | PASS |
Checks for this match
-
Zen 4 builders have different values.
- Mid point of values far away from reference. Recentering may be necessary.
Loading plot...
Detailed information
Reference: 2.43472553, precision: 0.0001| Run | Value | Difference | Relative difference | Status |
| foss-serial-zen4: [foss2023a-serial] | 2.434731949455737e+00 | 6.419455736761392e-06 | 6.419455736761392e-02 | PASS |
| intel-serial: [intel2023a-serial] | 2.434731949455775e+00 | 6.419455774953065e-06 | 6.419455774953065e-02 | PASS |
| foss-serial: [foss2023a-serial] | 2.434731949455844e+00 | 6.419455843786892e-06 | 6.419455843786892e-02 | PASS |
| ppc: [foss2023a-serial] | 2.434731949455767e+00 | 6.419455766959459e-06 | 6.419455766959459e-02 | PASS |
| cuda: [foss2022a-cuda-mpi, ci-foss-full-cuda] | 2.434731949455751e+00 | 6.419455750972247e-06 | 6.419455750972247e-02 | PASS |