Match comparison for z (H1) (t=400 au) (match type 26062)
Commits >
Commit daa93de2f371acc02c8ba320d7b5759725cfd1f4 >
Input 11-dftbplus_ehrenfest.01-benzene.inp
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| 2.388638060000000e+00 | 1.000000000000000e-04 | 2.388644100081966e+00 | 3.650803810913995e-14 | 2.388644100081937e+00 | 5.373479439185758e-14 | PASS |
Checks for this match
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Detailed information
Reference: 2.38863806, precision: 0.0001| Run | Value | Difference | Relative difference | Status |
| cmake_foss_2022a_full_serial | 2.388644100081991e+00 | 6.040081991010027e-06 | 6.040081991010027e-02 | PASS |
| foss-2022a_ppc | 2.388644100081974e+00 | 6.040081974578726e-06 | 6.040081974578726e-02 | PASS |
| spack_foss-2022a_serial_opt | 2.388644100081991e+00 | 6.040081991010027e-06 | 6.040081991010027e-02 | PASS |
| spack_foss-2022a_serial | 2.388644100081991e+00 | 6.040081991010027e-06 | 6.040081991010027e-02 | PASS |
| foss-2022a_opt | 2.388644100081991e+00 | 6.040081991010027e-06 | 6.040081991010027e-02 | PASS |
| intel-2022b | 2.388644100081961e+00 | 6.040081960811960e-06 | 6.040081960811960e-02 | PASS |
| intel-2022a | 2.388644100081990e+00 | 6.040081989677759e-06 | 6.040081989677759e-02 | PASS |
| spack_foss-2022a_serial_omp | 2.388644100081883e+00 | 6.040081883540438e-06 | 6.040081883540438e-02 | PASS |
| cmake_foss_2022a_full_mpi | 2.388644100081991e+00 | 6.040081991010027e-06 | 6.040081991010027e-02 | PASS |
| foss-2022a_omp | 2.388644100081900e+00 | 6.040081900415828e-06 | 6.040081900415828e-02 | PASS |
| intel-2022a_omp | 2.388644100081970e+00 | 6.040081970137834e-06 | 6.040081970137834e-02 | PASS |
| eb_fosscuda-2022a | 2.388644100081916e+00 | 6.040081915958950e-06 | 6.040081915958950e-02 | PASS |
| eb_foss-2022a | 2.388644100081991e+00 | 6.040081991010027e-06 | 6.040081991010027e-02 | PASS |
| eb_foss-2022b_libxc6 | 2.388644100081991e+00 | 6.040081991010027e-06 | 6.040081991010027e-02 | PASS |