Match comparison for z (C2) (t=400 au) (match type 26051)
Commits >
Commit 3c86545dbb6a164adc7b03c9886fea0d0acfc59e >
Input 11-dftbplus_ehrenfest.01-benzene.inp
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| 3.126510300000000e-01 | 1.000000000000000e-04 | 3.126558438240445e-01 | 7.448185456307876e-15 | 3.126558438240465e-01 | 8.132383655379272e-15 | PASS |
Checks for this match
- MPI builders have different values.
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Detailed information
Reference: 0.31265103, precision: 0.0001| Run | Value | Difference | Relative difference | Status |
| GCI_foss-cmake: [foss2022a-mpi, foss-full-mpi] | 3.126558438240384e-01 | 4.813824038385484e-06 | 4.813824038385484e-02 | PASS |
| GCI_foss_opt_autotools: [foss2023a-serial] | 3.126558438240384e-01 | 4.813824038385484e-06 | 4.813824038385484e-02 | PASS |
| GCI_foss-cmake: [foss2022a-serial, foss-full] | 3.126558438240384e-01 | 4.813824038385484e-06 | 4.813824038385484e-02 | PASS |
| GCI_intel_autotools: [intel2023a-serial] | 3.126558438240416e-01 | 4.813824041605130e-06 | 4.813824041605130e-02 | PASS |
| GCI_foss_omp_autotools: [foss2023a-serial] | 3.126558438240530e-01 | 4.813824053040427e-06 | 4.813824053040427e-02 | PASS |
| GCI_intel_omp_autotools: [intel2022a-serial] | 3.126558438240545e-01 | 4.813824054539229e-06 | 4.813824054539229e-02 | PASS |
| GCI_intel_omp_autotools: [intel2023a-serial] | 3.126558438240545e-01 | 4.813824054539229e-06 | 4.813824054539229e-02 | PASS |
| GCI_foss_ppc_autotools: [foss2022a-serial] | 3.126558438240546e-01 | 4.813824054650251e-06 | 4.813824054650251e-02 | PASS |
| GCI_foss_autotools: [foss2022a-serial] | 3.126558438240384e-01 | 4.813824038385484e-06 | 4.813824038385484e-02 | PASS |
| GCI_foss_autotools: [foss2023a-serial] | 3.126558438240384e-01 | 4.813824038385484e-06 | 4.813824038385484e-02 | PASS |
| GCI_foss_autotools: [foss2023b-serial] | 3.126558438240384e-01 | 4.813824038385484e-06 | 4.813824038385484e-02 | PASS |