Match comparison for y (H2) (t=400 au) (match type 26057)
Commits >
Commit 6d797cea4015e569c9484b6f40396252a005b517 >
Input 11-dftbplus_ehrenfest.01-benzene.inp
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| 2.434725530000000e+00 | 1.000000000000000e-04 | 2.434731949455808e+00 | 4.760478269959527e-14 | 2.434731949455775e+00 | 6.883382752675971e-14 | PASS |
Checks for this match
- Mid point of values far away from reference. Recentering may be necessary.
Loading plot...
Detailed information
Reference: 2.43472553, precision: 0.0001| Run | Value | Difference | Relative difference | Status |
| cmake_foss_2022a_full_serial | 2.434731949455844e+00 | 6.419455843786892e-06 | 6.419455843786892e-02 | PASS |
| foss-2022a_ppc | 2.434731949455828e+00 | 6.419455828243770e-06 | 6.419455828243770e-02 | PASS |
| spack_foss-2022a_serial | 2.434731949455844e+00 | 6.419455843786892e-06 | 6.419455843786892e-02 | PASS |
| foss-2022a_opt | 2.434731949455844e+00 | 6.419455843786892e-06 | 6.419455843786892e-02 | PASS |
| intel-2022b | 2.434731949455771e+00 | 6.419455770956262e-06 | 6.419455770956262e-02 | PASS |
| intel-2022a | 2.434731949455706e+00 | 6.419455706119237e-06 | 6.419455706119237e-02 | PASS |
| spack_foss-2022a_serial_omp | 2.434731949455744e+00 | 6.419455743422731e-06 | 6.419455743422731e-02 | PASS |
| cmake_foss_2022a_full_mpi | 2.434731949455844e+00 | 6.419455843786892e-06 | 6.419455843786892e-02 | PASS |
| foss-2022a_omp | 2.434731949455738e+00 | 6.419455737649571e-06 | 6.419455737649571e-02 | PASS |
| eb_fosscuda-2022a | 2.434731949455828e+00 | 6.419455828243770e-06 | 6.419455828243770e-02 | PASS |
| intel-2022a_omp | 2.434731949455818e+00 | 6.419455817585629e-06 | 6.419455817585629e-02 | PASS |
| eb_foss-2022a | 2.434731949455844e+00 | 6.419455843786892e-06 | 6.419455843786892e-02 | PASS |
| eb_foss-2022b_libxc6 | 2.434731949455844e+00 | 6.419455843786892e-06 | 6.419455843786892e-02 | PASS |