Match comparison for z (H2) (t=400 au) (match type 26063)
Commits >
Commit 57f8ca8d342504024fed98c8f4356f69f5870627 >
Input 11-dftbplus_ehrenfest.01-benzene.inp
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| 5.525258600000000e-01 | 1.000000000000000e-04 | 5.525290040787287e-01 | 2.312009076103763e-14 | 5.525290040787310e-01 | 4.674038933671909e-14 | PASS |
Checks for this match
- GPU builders have different values. Intel® builders have different values.
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Detailed information
Reference: 0.55252586, precision: 0.0001| Run | Value | Difference | Relative difference | Status |
| foss-cmake-zen4: [foss2023a-serial, foss-full] | 5.525290040787514e-01 | 3.144078751349255e-06 | 3.144078751349255e-02 | PASS |
| foss-cmake-zen4: [foss2023a-mpi, foss-full-mpi] | 5.525290040787514e-01 | 3.144078751349255e-06 | 3.144078751349255e-02 | PASS |
| intel-serial: [intel2023a-serial] | 5.525290040787777e-01 | 3.144078777661541e-06 | 3.144078777661541e-02 | PASS |
| foss-serial-full: [foss2023a-serial] | 5.525290040787273e-01 | 3.144078727257416e-06 | 3.144078727257416e-02 | PASS |
| foss_cmake: [foss2022a-serial, foss-full] | 5.525290040787273e-01 | 3.144078727257416e-06 | 3.144078727257416e-02 | PASS |
| foss-opt-full: [foss2023a-serial] | 5.525290040787273e-01 | 3.144078727257416e-06 | 3.144078727257416e-02 | PASS |
| foss-serial-full: [foss2023b-serial] | 5.525290040787273e-01 | 3.144078727257416e-06 | 3.144078727257416e-02 | PASS |
| foss-ppc: [foss2022a-serial] | 5.525290040786897e-01 | 3.144078689620855e-06 | 3.144078689620855e-02 | PASS |
| foss_cmake: [foss2022a-mpi, foss-full-mpi] | 5.525290040787273e-01 | 3.144078727257416e-06 | 3.144078727257416e-02 | PASS |
| foss_cmake: [foss2023a-mpi, foss-full-mpi] | 5.525290040787273e-01 | 3.144078727257416e-06 | 3.144078727257416e-02 | PASS |
| foss-mpi-opt-full: [foss2023a-mpi] | 5.525290040787273e-01 | 3.144078727257416e-06 | 3.144078727257416e-02 | PASS |
| foss-mpi-full: [foss2023a-mpi] | 5.525290040787273e-01 | 3.144078727257416e-06 | 3.144078727257416e-02 | PASS |
| cuda-serial: [foss2022a-cuda-mpi] | 5.525290040786842e-01 | 3.144078684180762e-06 | 3.144078684180762e-02 | PASS |