Match comparison for y (H4) (t=400 au) (match type 26059)
Commits >
Commit bb686499811dbfe67b92ca3aeb5b2659998636fa >
Input 11-dftbplus_ehrenfest.01-benzene.inp
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| -7.454872700000000e-01 | 1.000000000000000e-04 | -7.454904847664311e-01 | 3.819483207154270e-14 | -7.454904847664074e-01 | 8.043565813409259e-14 | PASS |
Checks do not indicate problems with this match.
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Detailed information
Reference: -0.74548727, precision: 0.0001| Run | Value | Difference | Relative difference | Status |
| cmake_foss_2022a_full_serial | -7.454904847664562e-01 | -3.214766456149931e-06 | -3.214766456149931e-02 | PASS |
| spack_foss-2022a_serial | -7.454904847664562e-01 | -3.214766456149931e-06 | -3.214766456149931e-02 | PASS |
| spack_foss-2022a_ppc | -7.454904847663271e-01 | -3.214766327030993e-06 | -3.214766327030993e-02 | PASS |
| GCI_foss_cuda_autotools: [foss2022a-cuda-mpi] | -7.454904847664098e-01 | -3.214766409742609e-06 | -3.214766409742609e-02 | PASS |
| cmake_foss_2022a_full_mpi | -7.454904847664562e-01 | -3.214766456149931e-06 | -3.214766456149931e-02 | PASS |
| GCI_foss_opt_autotools: [foss2023a-serial] | -7.454904847664562e-01 | -3.214766456149931e-06 | -3.214766456149931e-02 | PASS |
| GCI_foss-cmake: [foss2022a-serial, foss-full] | -7.454904847664562e-01 | -3.214766456149931e-06 | -3.214766456149931e-02 | PASS |
| GCI_intel_autotools: [intel2023a-serial] | -7.454904847664138e-01 | -3.214766413739412e-06 | -3.214766413739412e-02 | PASS |
| GCI_foss_omp_autotools: [foss2023a-serial] | -7.454904847664879e-01 | -3.214766487902310e-06 | -3.214766487902310e-02 | PASS |
| GCI_intel_omp_autotools: [intel2023a-serial] | -7.454904847664166e-01 | -3.214766416514969e-06 | -3.214766416514969e-02 | PASS |
| GCI_intel_omp_autotools: [intel2022a-serial] | -7.454904847664166e-01 | -3.214766416514969e-06 | -3.214766416514969e-02 | PASS |
| GCI_foss_ppc_autotools: [foss2022a-serial] | -7.454904847663271e-01 | -3.214766327030993e-06 | -3.214766327030993e-02 | PASS |
| GCI_foss_autotools: [foss2022a-serial] | -7.454904847664562e-01 | -3.214766456149931e-06 | -3.214766456149931e-02 | PASS |
| GCI_foss_autotools: [foss2023a-serial] | -7.454904847664562e-01 | -3.214766456149931e-06 | -3.214766456149931e-02 | PASS |
| GCI_foss_autotools: [foss2023b-serial] | -7.454904847664562e-01 | -3.214766456149931e-06 | -3.214766456149931e-02 | PASS |
| spack_foss-2023a_serial | -7.454904847664562e-01 | -3.214766456149931e-06 | -3.214766456149931e-02 | PASS |
| spack_foss-2023a_serial_opt | -7.454904847664562e-01 | -3.214766456149931e-06 | -3.214766456149931e-02 | PASS |
| spack_foss-2023b_serial | -7.454904847664562e-01 | -3.214766456149931e-06 | -3.214766456149931e-02 | PASS |
| spack_foss-2023a_serial_omp | -7.454904847664160e-01 | -3.214766415959858e-06 | -3.214766415959858e-02 | PASS |
| spack_intel-2023a_serial | -7.454904847664138e-01 | -3.214766413739412e-06 | -3.214766413739412e-02 | PASS |
| spack_intel-2022a_serial_omp | -7.454904847664166e-01 | -3.214766416514969e-06 | -3.214766416514969e-02 | PASS |
| spack_intel-2023a_serial_omp | -7.454904847664166e-01 | -3.214766416514969e-06 | -3.214766416514969e-02 | PASS |
| spack_foss-2022a_cuda_serial | -7.454904847664098e-01 | -3.214766409742609e-06 | -3.214766409742609e-02 | PASS |
| GCI_foss-cmake: [foss2022a-mpi, foss-full-mpi] | -7.454904847664562e-01 | -3.214766456149931e-06 | -3.214766456149931e-02 | PASS |