Match comparison for z (C3) (t=400 au) (match type 26052)
Commits >
Commit f22bb0bcca4b53614d336c5e83de089ff68b1baa >
Input 11-dftbplus_ehrenfest.01-benzene.inp
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| -1.020043890000000e+00 | 1.000000000000000e-04 | -1.020052473929680e+00 | 6.869401231125563e-15 | -1.020052473929675e+00 | 8.881784197001252e-15 | 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: -1.02004389, precision: 0.0001| Run | Value | Difference | Relative difference | Status |
| foss-cmake-zen4: [foss2023a-serial, ci-foss-full] | -1.020052473929683e+00 | -8.583929683503300e-06 | -8.583929683503300e-02 | PASS |
| foss-serial-full: [foss2023b-serial] | -1.020052473929683e+00 | -8.583929683281255e-06 | -8.583929683281255e-02 | PASS |
| foss-opt-full: [foss2023a-serial] | -1.020052473929683e+00 | -8.583929683281255e-06 | -8.583929683281255e-02 | PASS |
| foss-serial-full: [foss2023a-serial] | -1.020052473929683e+00 | -8.583929683281255e-06 | -8.583929683281255e-02 | PASS |
| intel-serial: [intel2023a-serial] | -1.020052473929666e+00 | -8.583929665739731e-06 | -8.583929665739731e-02 | PASS |
| foss-cmake-zen4: [foss2023a-mpi, ci-foss-full-mpi] | -1.020052473929683e+00 | -8.583929683503300e-06 | -8.583929683503300e-02 | PASS |
| foss-ppc: [foss2022a-serial] | -1.020052473929682e+00 | -8.583929682393077e-06 | -8.583929682393077e-02 | PASS |
| foss-mpi-opt-full: [foss2023a-mpi] | -1.020052473929683e+00 | -8.583929683281255e-06 | -8.583929683281255e-02 | PASS |
| foss-mpi-full: [foss2023a-mpi] | -1.020052473929683e+00 | -8.583929683281255e-06 | -8.583929683281255e-02 | PASS |
| cuda-serial: [foss2022a-cuda-mpi] | -1.020052473929666e+00 | -8.583929666405865e-06 | -8.583929666405865e-02 | PASS |