Match comparison for z (H1) (t=400 au) (match type 26062)
Commits >
Commit bb161c2d0107cec853e686df3a469ebc444968d7 >
Input 11-dftbplus_ehrenfest.01-benzene.inp
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| 2.388638060000000e+00 | 1.000000000000000e-04 | 2.388644100081970e+00 | 4.584372165002492e-14 | 2.388644100081937e+00 | 7.416289804496046e-14 | PASS |
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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_autotools: [foss2022a-serial] | 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: [foss2023b-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_autotools: [foss2023a-serial] | 2.388644100081991e+00 | 6.040081991010027e-06 | 6.040081991010027e-02 | PASS |
| foss_omp_autotools: [foss2023a-serial] | 2.388644100081863e+00 | 6.040081862668245e-06 | 6.040081862668245e-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 |
| 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 |