Match comparison for y (C3) (t=400 au) (match type 26046)
Commits >
Commit 9a893b9dbe73f1d3f49cd24e2707361da541a5ca >
Input 11-dftbplus_ehrenfest.01-benzene.inp
General information
Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
9.455055999999999e-01 | 1.000000000000000e-04 | 9.455131180888261e-01 | 1.395440375197554e-14 | 9.455131180888325e-01 | 1.859623566247137e-14 | PASS |
Checks for this match
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Intel® builders have different values.
- Mid point of values far away from reference. Recentering may be necessary.
Zen 4 builders have different values.
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Detailed information
Reference: 0.9455056, precision: 0.0001Run | Value | Difference | Relative difference | Status |
foss-serial-zen4: [foss2023a-serial] | 9.455131180888511e-01 | 7.518088851132809e-06 | 7.518088851132809e-02 | PASS |
intel-serial: [intel2023a-serial] | 9.455131180888139e-01 | 7.518088813940338e-06 | 7.518088813940338e-02 | PASS |
foss-serial: [foss2023a-serial] | 9.455131180888308e-01 | 7.518088830815728e-06 | 7.518088830815728e-02 | PASS |
ppc: [foss2023a-serial] | 9.455131180888139e-01 | 7.518088813940338e-06 | 7.518088813940338e-02 | PASS |
cuda: [foss2022a-cuda-mpi, ci-foss-full-cuda] | 9.455131180888207e-01 | 7.518088820712698e-06 | 7.518088820712698e-02 | PASS |