Match comparison for y (H4) (t=400 au) (match type 26059)
Commits >
Commit daa93de2f371acc02c8ba320d7b5759725cfd1f4 >
Input 11-dftbplus_ehrenfest.01-benzene.inp
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| -7.454872700000000e-01 | 1.000000000000000e-04 | -7.454904847664272e-01 | 6.607905172394729e-14 | -7.454904847663719e-01 | 1.396660564978447e-13 | PASS |
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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 |
| foss-2022a_ppc | -7.454904847663855e-01 | -3.214766385428725e-06 | -3.214766385428725e-02 | PASS |
| spack_foss-2022a_serial_opt | -7.454904847664562e-01 | -3.214766456149931e-06 | -3.214766456149931e-02 | PASS |
| spack_foss-2022a_serial | -7.454904847664562e-01 | -3.214766456149931e-06 | -3.214766456149931e-02 | PASS |
| foss-2022a_opt | -7.454904847664562e-01 | -3.214766456149931e-06 | -3.214766456149931e-02 | PASS |
| intel-2022b | -7.454904847664402e-01 | -3.214766440162720e-06 | -3.214766440162720e-02 | PASS |
| intel-2022a | -7.454904847665116e-01 | -3.214766511550060e-06 | -3.214766511550060e-02 | PASS |
| spack_foss-2022a_serial_omp | -7.454904847663383e-01 | -3.214766338244246e-06 | -3.214766338244246e-02 | PASS |
| cmake_foss_2022a_full_mpi | -7.454904847664562e-01 | -3.214766456149931e-06 | -3.214766456149931e-02 | PASS |
| foss-2022a_omp | -7.454904847662323e-01 | -3.214766232217947e-06 | -3.214766232217947e-02 | PASS |
| intel-2022a_omp | -7.454904847664368e-01 | -3.214766436721028e-06 | -3.214766436721028e-02 | PASS |
| eb_fosscuda-2022a | -7.454904847664419e-01 | -3.214766441828054e-06 | -3.214766441828054e-02 | PASS |
| eb_foss-2022a | -7.454904847664562e-01 | -3.214766456149931e-06 | -3.214766456149931e-02 | PASS |
| eb_foss-2022b_libxc6 | -7.454904847664562e-01 | -3.214766456149931e-06 | -3.214766456149931e-02 | PASS |