Match comparison for y (C1) (t=400 au) (match type 26044)
Commits >
Commit 968a3ff7080ffa1f89f08d37efc7416527769dec >
Input 11-dftbplus_ehrenfest.01-benzene.inp
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| 4.172809400000000e-01 | 1.000000000000000e-04 | 4.172860461983707e-01 | 1.253986008940281e-14 | 4.172860461983795e-01 | 1.865174681370263e-14 | PASS |
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Detailed information
Reference: 0.41728094, precision: 0.0001| Run | Value | Difference | Relative difference | Status |
| foss_cmake: [foss2022a-serial, foss-full] | 4.172860461983608e-01 | 5.106198360860237e-06 | 5.106198360860237e-02 | PASS |
| foss_opt_autotools: [foss2023a-serial] | 4.172860461983608e-01 | 5.106198360860237e-06 | 5.106198360860237e-02 | PASS |
| foss_autotools: [foss2023a-serial] | 4.172860461983608e-01 | 5.106198360860237e-06 | 5.106198360860237e-02 | PASS |
| foss_autotools: [foss2023b-serial] | 4.172860461983608e-01 | 5.106198360860237e-06 | 5.106198360860237e-02 | PASS |
| foss_autotools: [foss2022a-serial] | 4.172860461983608e-01 | 5.106198360860237e-06 | 5.106198360860237e-02 | PASS |
| intel_autotools: [intel2023a-serial] | 4.172860461983982e-01 | 5.106198398163730e-06 | 5.106198398163730e-02 | PASS |
| foss_cmake: [foss2022a-mpi, foss-full-mpi] | 4.172860461983608e-01 | 5.106198360860237e-06 | 5.106198360860237e-02 | PASS |
| foss_cmake: [foss2023a-mpi, foss-full-mpi] | 4.172860461983608e-01 | 5.106198360860237e-06 | 5.106198360860237e-02 | PASS |
| foss_omp_autotools: [foss2023a-serial] | 4.172860461983681e-01 | 5.106198368076686e-06 | 5.106198368076686e-02 | PASS |
| intel_omp_autotools: [intel2023a-serial] | 4.172860461983774e-01 | 5.106198377402560e-06 | 5.106198377402560e-02 | PASS |
| intel_omp_autotools: [intel2022a-serial] | 4.172860461983774e-01 | 5.106198377402560e-06 | 5.106198377402560e-02 | PASS |
| foss_ppc_autotools: [foss2022a-serial] | 4.172860461983907e-01 | 5.106198390725236e-06 | 5.106198390725236e-02 | PASS |
| foss_cuda_autotools: [foss2022a-cuda-mpi] | 4.172860461983814e-01 | 5.106198381399363e-06 | 5.106198381399363e-02 | PASS |