Match comparison for z (H5) (t=400 au) (match type 26066)
Commits >
Commit 3c86545dbb6a164adc7b03c9886fea0d0acfc59e >
Input 11-dftbplus_ehrenfest.01-benzene.inp
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| -5.371839899999999e-01 | 1.000000000000000e-04 | -5.371868782915245e-01 | 4.165889745153663e-14 | -5.371868782915525e-01 | 8.065770273901762e-14 | PASS |
Checks do not indicate problems with this match.
Loading plot...
Detailed information
Reference: -0.53718399, precision: 0.0001| Run | Value | Difference | Relative difference | Status |
| GCI_foss-cmake: [foss2022a-mpi, foss-full-mpi] | -5.371868782915038e-01 | -2.888291503855278e-06 | -2.888291503855278e-02 | PASS |
| GCI_foss_opt_autotools: [foss2023a-serial] | -5.371868782915038e-01 | -2.888291503855278e-06 | -2.888291503855278e-02 | PASS |
| GCI_foss-cmake: [foss2022a-serial, foss-full] | -5.371868782915038e-01 | -2.888291503855278e-06 | -2.888291503855278e-02 | PASS |
| GCI_intel_autotools: [intel2023a-serial] | -5.371868782914719e-01 | -2.888291471991877e-06 | -2.888291471991877e-02 | PASS |
| GCI_foss_omp_autotools: [foss2023a-serial] | -5.371868782915638e-01 | -2.888291563807321e-06 | -2.888291563807321e-02 | PASS |
| GCI_intel_omp_autotools: [intel2022a-serial] | -5.371868782915384e-01 | -2.888291538494236e-06 | -2.888291538494236e-02 | PASS |
| GCI_intel_omp_autotools: [intel2023a-serial] | -5.371868782915384e-01 | -2.888291538494236e-06 | -2.888291538494236e-02 | PASS |
| GCI_foss_ppc_autotools: [foss2022a-serial] | -5.371868782916333e-01 | -2.888291633307283e-06 | -2.888291633307283e-02 | PASS |
| GCI_foss_autotools: [foss2022a-serial] | -5.371868782915038e-01 | -2.888291503855278e-06 | -2.888291503855278e-02 | PASS |
| GCI_foss_autotools: [foss2023a-serial] | -5.371868782915038e-01 | -2.888291503855278e-06 | -2.888291503855278e-02 | PASS |
| GCI_foss_autotools: [foss2023b-serial] | -5.371868782915038e-01 | -2.888291503855278e-06 | -2.888291503855278e-02 | PASS |