Input 02-propagators.02-cnsparskit.inp
Commits >
Commit 6099f031302cffa2938f492784ba2f7b55faffa3 >
Run foss_cuda_autotools: [foss2022a-cuda-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Forces [step 1] | 8.537673799433776e-02 | 8.537673799433354e-02 | 5.130000000000000e-15 | 4.218847493575595e-15 | PASS |
| Forces [step 20] | 7.964959635257740e-02 | 7.964959635257580e-02 | 3.980000000000000e-15 | 1.595945597898663e-15 | PASS |
| Energy [step 1] | -1.060686608766758e+01 | -1.060686608766762e+01 | 1.060000000000000e-13 | 4.085620730620576e-14 | PASS |
| Energy [step 20] | -1.060637261154880e+01 | -1.060637261154880e+01 | 1.060000000000000e-13 | 3.552713678800501e-15 | PASS |
| Multipoles [step 1] | 1.273698614840443e-15 | 1.824331091466839e-16 | 4.490000000000000e-15 | 1.091265505693759e-15 | PASS |
| Multipoles [step 20] | -1.265304528942152e-01 | -1.265304528942171e-01 | 2.110000000000000e-15 | 1.942890293094024e-15 | PASS |