Input 01-propagators.04-etrs_lanczos.inp
Commits >
Commit 6099f031302cffa2938f492784ba2f7b55faffa3 >
Run foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 0] | -1.060686608766761e+01 | -1.060686608766762e+01 | 1.060000000000000e-13 | 5.329070518200751e-15 | PASS |
| Energy [step 20] | -1.060637200596971e+01 | -1.060637200596971e+01 | 1.060000000000000e-13 | 0.000000000000000e+00 | PASS |
| Multipoles [step 0] | -3.902819473849961e-15 | 1.824331091466839e-16 | 4.490000000000000e-15 | -4.085252582996645e-15 | PASS |
| Multipoles [step 20] | -1.265864295118478e-01 | -1.265864295118192e-01 | 4.360000000000000e-14 | -2.858824288409778e-14 | PASS |
| Forces [step 0] | 8.537673799433820e-02 | 8.537673799433354e-02 | 5.130000000000000e-15 | 4.662936703425657e-15 | PASS |
| Forces [step 20] | 7.967423673804763e-02 | 7.967423673803031e-02 | 4.640000000000000e-14 | 1.731947918415244e-14 | PASS |