Match comparison for z (C2) (t=400 au) (match type 26051)
Commits >
Commit 77b19a812457519ffe2e63888ffe5f5b10958dc8 >
Input 11-dftbplus_ehrenfest.01-benzene.inp
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| 3.126510300000000e-01 | 1.000000000000000e-04 | 3.126558438240447e-01 | 1.006620916621827e-14 | 3.126558438240505e-01 | 1.917910275039958e-14 | PASS |
Checks for this match
- GPU builders have different values.
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Detailed information
Reference: 0.31265103, precision: 0.0001| Run | Value | Difference | Relative difference | Status |
| foss-2022a_ppc | 3.126558438240490e-01 | 4.813824048988113e-06 | 4.813824048988113e-02 | PASS |
| cmake_foss_2022a_full_serial | 3.126558438240384e-01 | 4.813824038385484e-06 | 4.813824038385484e-02 | PASS |
| cmake_foss_2022a_full_mpi | 3.126558438240384e-01 | 4.813824038385484e-06 | 4.813824038385484e-02 | PASS |
| eb_foss-2022a | 3.126558438240384e-01 | 4.813824038385484e-06 | 4.813824038385484e-02 | PASS |
| eb_foss-2022b_libxc6 | 3.126558438240384e-01 | 4.813824038385484e-06 | 4.813824038385484e-02 | PASS |
| foss-2022a_opt | 3.126558438240384e-01 | 4.813824038385484e-06 | 4.813824038385484e-02 | PASS |
| eb_fosscuda-2022a | 3.126558438240697e-01 | 4.813824069749284e-06 | 4.813824069749284e-02 | PASS |
| intel-2022a | 3.126558438240575e-01 | 4.813824057536831e-06 | 4.813824057536831e-02 | PASS |
| foss-2022a_omp | 3.126558438240449e-01 | 4.813824044880288e-06 | 4.813824044880288e-02 | PASS |
| intel-2022b | 3.126558438240565e-01 | 4.813824056537630e-06 | 4.813824056537630e-02 | PASS |
| spack_foss-2022a_serial | 3.126558438240384e-01 | 4.813824038385484e-06 | 4.813824038385484e-02 | PASS |
| intel-2022a_omp | 3.126558438240481e-01 | 4.813824048099935e-06 | 4.813824048099935e-02 | PASS |
| spack_foss-2022a_serial_opt | 3.126558438240384e-01 | 4.813824038385484e-06 | 4.813824038385484e-02 | PASS |
| spack_foss-2022a_serial_omp | 3.126558438240314e-01 | 4.813824031391079e-06 | 4.813824031391079e-02 | PASS |