Input 02-propagators.02-cnsparskit.inp
Commits >
Commit 6099f031302cffa2938f492784ba2f7b55faffa3 >
Run foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Forces [step 1] | 8.537673799433820e-02 | 8.537673799433354e-02 | 5.130000000000000e-15 | 4.662936703425657e-15 | PASS |
| Forces [step 20] | 7.964959635257829e-02 | 7.964959635257580e-02 | 3.980000000000000e-15 | 2.484124017598788e-15 | PASS |
| Energy [step 1] | -1.060686608766761e+01 | -1.060686608766762e+01 | 1.060000000000000e-13 | 5.329070518200751e-15 | PASS |
| Energy [step 20] | -1.060637261154880e+01 | -1.060637261154880e+01 | 1.060000000000000e-13 | 0.000000000000000e+00 | PASS |
| Multipoles [step 1] | -3.902819473849961e-15 | 1.824331091466839e-16 | 4.490000000000000e-15 | -4.085252582996645e-15 | PASS |
| Multipoles [step 20] | -1.265304528942178e-01 | -1.265304528942171e-01 | 2.110000000000000e-15 | -7.216449660063518e-16 | PASS |