Input 01-propagators.03-etrs_taylor.inp
Commits >
Commit 6dda27ed08cd9fd2b2f861e6109ead2bd6d3cd56 >
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] | -1.060637205318229e+01 | -1.060637205318229e+01 | 1.060000000000000e-13 | 1.776356839400250e-15 | PASS |
| Multipoles [step 0] | -3.902819473849961e-15 | 1.824331091466839e-16 | 4.490000000000000e-15 | -4.085252582996645e-15 | PASS |
| Multipoles [step 20] | -1.265536606512540e-01 | -1.265536606512522e-01 | 4.000000000000000e-15 | -1.804112415015879e-15 | PASS |
| Forces [step 0] | 8.537673799433820e-02 | 8.537673799433354e-02 | 1.250000000000000e-14 | 4.662936703425657e-15 | PASS |
| Forces [step 20] | 7.966960326023687e-02 | 7.966960326023464e-02 | 7.820000000000000e-15 | 2.220446049250313e-15 | PASS |