Input 01-propagators.06-aetrs.inp
Commits >
Commit 61d12a07bb2f18211cbe349e5d87c7e10e0bf297 >
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 | 7.105427357601002e-15 | PASS |
| Energy [step 20] | -1.060637353666411e+01 | -1.060637353666412e+01 | 1.060000000000000e-13 | 1.065814103640150e-14 | PASS |
| Multipoles [step 0] | 3.669018214247366e-16 | 5.879834888021430e-16 | 4.510000000000000e-15 | -2.210816673774064e-16 | PASS |
| Multipoles [step 20] | -1.265509663990609e-01 | -1.265509663990618e-01 | 5.590000000000000e-15 | 9.159339953157541e-16 | PASS |
| Forces [step 0] | 8.537673799433643e-02 | 8.537673799433354e-02 | 1.250000000000000e-14 | 2.886579864025407e-15 | PASS |
| Forces [step 20] | 7.966840852245038e-02 | 7.966840852244794e-02 | 8.059999999999999e-15 | 2.442490654175344e-15 | PASS |