Match comparison for z (H1) (t=400 au) (match type 26062)
Commits >
Commit 968a3ff7080ffa1f89f08d37efc7416527769dec >
Input 11-dftbplus_ehrenfest.01-benzene.inp
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| 2.388638060000000e+00 | 1.000000000000000e-04 | 2.388644100081973e+00 | 3.974421895437040e-14 | 2.388644100081951e+00 | 5.950795411990839e-14 | PASS |
Checks for this match
- Mid point of values far away from reference. Recentering may be necessary.
Loading plot...
Detailed information
Reference: 2.38863806, precision: 0.0001| Run | Value | Difference | Relative difference | Status |
| foss_cmake: [foss2022a-serial, foss-full] | 2.388644100081991e+00 | 6.040081991010027e-06 | 6.040081991010027e-02 | PASS |
| foss_opt_autotools: [foss2023a-serial] | 2.388644100081991e+00 | 6.040081991010027e-06 | 6.040081991010027e-02 | PASS |
| foss_autotools: [foss2023a-serial] | 2.388644100081991e+00 | 6.040081991010027e-06 | 6.040081991010027e-02 | PASS |
| foss_autotools: [foss2023b-serial] | 2.388644100081991e+00 | 6.040081991010027e-06 | 6.040081991010027e-02 | PASS |
| foss_autotools: [foss2022a-serial] | 2.388644100081991e+00 | 6.040081991010027e-06 | 6.040081991010027e-02 | PASS |
| intel_autotools: [intel2023a-serial] | 2.388644100081982e+00 | 6.040081982128243e-06 | 6.040081982128243e-02 | PASS |
| foss_cmake: [foss2022a-mpi, foss-full-mpi] | 2.388644100081991e+00 | 6.040081991010027e-06 | 6.040081991010027e-02 | PASS |
| foss_cmake: [foss2023a-mpi, foss-full-mpi] | 2.388644100081991e+00 | 6.040081991010027e-06 | 6.040081991010027e-02 | PASS |
| foss_omp_autotools: [foss2023a-serial] | 2.388644100081900e+00 | 6.040081900415828e-06 | 6.040081900415828e-02 | PASS |
| intel_omp_autotools: [intel2023a-serial] | 2.388644100082011e+00 | 6.040082010994041e-06 | 6.040082010994041e-02 | PASS |
| intel_omp_autotools: [intel2022a-serial] | 2.388644100082011e+00 | 6.040082010994041e-06 | 6.040082010994041e-02 | PASS |
| foss_ppc_autotools: [foss2022a-serial] | 2.388644100081892e+00 | 6.040081891978133e-06 | 6.040081891978133e-02 | PASS |
| foss_cuda_autotools: [foss2022a-cuda-mpi] | 2.388644100081914e+00 | 6.040081914182593e-06 | 6.040081914182593e-02 | PASS |