Match comparison for z (C5) (t=400 au) (match type 26054)
Commits >
Commit f72050fe95608e153e1887ef05d1ad42dc082fde >
Input 11-dftbplus_ehrenfest.01-benzene.inp
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| -2.973097900000000e-01 | 1.000000000000000e-04 | -2.973146144558261e-01 | 1.912017119405468e-14 | -2.973146144558319e-01 | 3.241851231905457e-14 | PASS |
Checks for this match
- OpenMP builders have different values.
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Detailed information
Reference: -0.29730979, precision: 0.0001| Run | Value | Difference | Relative difference | Status |
| foss-cmake-zen4: [foss2023a-serial, foss-full] | -2.973146144558592e-01 | -4.824455859198107e-06 | -4.824455859198107e-02 | PASS |
| foss-cmake-zen4: [foss2023a-mpi, foss-full-mpi] | -2.973146144558592e-01 | -4.824455859198107e-06 | -4.824455859198107e-02 | PASS |
| foss-serial-full: [foss2023b-serial] | -2.973146144558194e-01 | -4.824455819341100e-06 | -4.824455819341100e-02 | PASS |
| foss-opt-full: [foss2023a-serial] | -2.973146144558194e-01 | -4.824455819341100e-06 | -4.824455819341100e-02 | PASS |
| foss-ppc: [foss2022a-serial] | -2.973146144558323e-01 | -4.824455832330710e-06 | -4.824455832330710e-02 | PASS |
| foss-serial-full: [foss2023a-serial] | -2.973146144558194e-01 | -4.824455819341100e-06 | -4.824455819341100e-02 | PASS |
| intel_omp_autotools: [intel2023a-serial] | -2.973146144557995e-01 | -4.824455799468108e-06 | -4.824455799468108e-02 | PASS |
| intel_omp_autotools: [intel2022a-serial] | -2.973146144557995e-01 | -4.824455799468108e-06 | -4.824455799468108e-02 | PASS |
| foss-mpi-full: [foss2023a-mpi] | -2.973146144558194e-01 | -4.824455819341100e-06 | -4.824455819341100e-02 | PASS |
| intel-serial: [intel2023a-serial] | -2.973146144558643e-01 | -4.824455864305133e-06 | -4.824455864305133e-02 | PASS |
| foss_cmake: [foss2022a-serial, foss-full] | -2.973146144558194e-01 | -4.824455819341100e-06 | -4.824455819341100e-02 | PASS |
| foss-mpi-opt-full: [foss2023a-mpi] | -2.973146144558194e-01 | -4.824455819341100e-06 | -4.824455819341100e-02 | PASS |
| foss_cmake: [foss2022a-mpi, foss-full-mpi] | -2.973146144558194e-01 | -4.824455819341100e-06 | -4.824455819341100e-02 | PASS |
| foss_cmake: [foss2023a-mpi, foss-full-mpi] | -2.973146144558194e-01 | -4.824455819341100e-06 | -4.824455819341100e-02 | PASS |
| cuda-serial: [foss2022a-cuda-mpi] | -2.973146144558229e-01 | -4.824455822893814e-06 | -4.824455822893814e-02 | PASS |