Match comparison for y (C2) (t=400 au) (match type 26045)
Commits >
Commit bf0f47cf3302df97f9487d18148dd4e0cf599eb9 >
Input 11-dftbplus_ehrenfest.01-benzene.inp
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| 1.362777810000000e+00 | 1.000000000000000e-04 | 1.362785690643759e+00 | 1.268976063126271e-14 | 1.362785690643753e+00 | 2.731148640577885e-14 | PASS |
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Detailed information
Reference: 1.36277781, precision: 0.0001| Run | Value | Difference | Relative difference | Status |
| foss-2022a_ppc | 1.362785690643764e+00 | 7.880643763558126e-06 | 7.880643763558126e-02 | PASS |
| cmake_foss_2022a_full_serial | 1.362785690643765e+00 | 7.880643764890394e-06 | 7.880643764890394e-02 | PASS |
| cmake_foss_2022a_full_mpi | 1.362785690643765e+00 | 7.880643764890394e-06 | 7.880643764890394e-02 | PASS |
| eb_fosscuda-2022a | 1.362785690643760e+00 | 7.880643760227457e-06 | 7.880643760227457e-02 | PASS |
| eb_foss-2022a | 1.362785690643765e+00 | 7.880643764890394e-06 | 7.880643764890394e-02 | PASS |
| eb_foss-2022b_libxc6 | 1.362785690643765e+00 | 7.880643764890394e-06 | 7.880643764890394e-02 | PASS |
| foss-2022a_opt | 1.362785690643765e+00 | 7.880643764890394e-06 | 7.880643764890394e-02 | PASS |
| foss-2022a_omp | 1.362785690643725e+00 | 7.880643725366454e-06 | 7.880643725366454e-02 | PASS |
| intel-2022a | 1.362785690643749e+00 | 7.880643749125227e-06 | 7.880643749125227e-02 | PASS |
| intel-2022b | 1.362785690643745e+00 | 7.880643745350469e-06 | 7.880643745350469e-02 | PASS |
| spack_foss-2022a_serial | 1.362785690643765e+00 | 7.880643764890394e-06 | 7.880643764890394e-02 | PASS |
| intel-2022a_omp | 1.362785690643756e+00 | 7.880643756230654e-06 | 7.880643756230654e-02 | PASS |
| spack_foss-2022a_serial_omp | 1.362785690643780e+00 | 7.880643779989427e-06 | 7.880643779989427e-02 | PASS |