Match comparison for z (C3) (t=400 au) (match type 26052)
Commits >
Commit 9a893b9dbe73f1d3f49cd24e2707361da541a5ca >
Input 11-dftbplus_ehrenfest.01-benzene.inp
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| -1.020043890000000e+00 | 1.000000000000000e-04 | -1.020052473929676e+00 | 8.333627178089672e-15 | -1.020052473929675e+00 | 8.881784197001252e-15 | PASS |
Checks for this match
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Intel® builders have different values.
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Zen 4 builders have different values.
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Detailed information
Reference: -1.02004389, precision: 0.0001| Run | Value | Difference | Relative difference | Status |
| foss-serial-zen4: [foss2023a-serial] | -1.020052473929683e+00 | -8.583929683503300e-06 | -8.583929683503300e-02 | PASS |
| intel-serial: [intel2023a-serial] | -1.020052473929666e+00 | -8.583929665739731e-06 | -8.583929665739731e-02 | PASS |
| foss-serial: [foss2023a-serial] | -1.020052473929683e+00 | -8.583929683281255e-06 | -8.583929683281255e-02 | PASS |
| ppc: [foss2023a-serial] | -1.020052473929682e+00 | -8.583929682393077e-06 | -8.583929682393077e-02 | PASS |
| cuda: [foss2022a-cuda-mpi, ci-foss-full-cuda] | -1.020052473929666e+00 | -8.583929666405865e-06 | -8.583929666405865e-02 | PASS |