Input 01-propagators.04-etrs_lanczos.inp
Commits >
Commit 693a0d35b3d26ba3cd9b2465c2841d04084addbc >
Run cuda: [foss2022a-cuda-mpi, ci-foss-full-mpi-omp-cuda]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 0] | -1.060686608766760e+01 | -1.060686608766762e+01 | 1.060000000000000e-13 | 1.421085471520200e-14 | PASS |
| Energy [step 20] | -1.060637200596971e+01 | -1.060637200596971e+01 | 1.060000000000000e-13 | 3.552713678800501e-15 | PASS |
| Multipoles [step 0] | 3.739734840161810e-15 | 1.824331091466839e-16 | 4.490000000000000e-15 | 3.557301731015126e-15 | PASS |
| Multipoles [step 20] | -1.265864295118417e-01 | -1.265864295118192e-01 | 4.360000000000000e-14 | -2.245426067304379e-14 | PASS |
| Forces [step 0] | 8.537673799433598e-02 | 8.537673799433354e-02 | 1.250000000000000e-14 | 2.442490654175344e-15 | PASS |
| Forces [step 20] | 7.967423673805030e-02 | 7.967423673803031e-02 | 4.640000000000000e-14 | 1.998401444325282e-14 | PASS |