Input 02-propagators.02-cnsparskit.inp
Commits >
Commit 69bdc22e524ab1df7701119670aff9b913714e90 >
Run foss_cuda_autotools: [foss2022a-cuda-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Forces [step 1] | 8.537673799433732e-02 | 8.537673799433354e-02 | 1.250000000000000e-14 | 3.774758283725532e-15 | PASS |
| Forces [step 20] | 7.964959635257829e-02 | 7.964959635257580e-02 | 7.040000000000000e-15 | 2.484124017598788e-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 | 5.329070518200751e-15 | PASS |
| Multipoles [step 1] | -1.140935246670208e-15 | 5.879834888021430e-16 | 4.510000000000000e-15 | -1.728918735472351e-15 | PASS |
| Multipoles [step 20] | -1.265304528942160e-01 | -1.265304528942195e-01 | 6.870000000000000e-15 | 3.524958103184872e-15 | PASS |