Input 01-propagators.04-etrs_lanczos.inp
Commits >
Commit 0fe8dcc2cda723db7bfa614b73e6eb662c8bbe1e >
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] | -1.060637200596971e+01 | -1.060637200596971e+01 | 1.060000000000000e-13 | 3.552713678800501e-15 | PASS |
| Multipoles [step 0] | 3.669018214247366e-16 | 5.879834888021430e-16 | 4.510000000000000e-15 | -2.210816673774064e-16 | PASS |
| Multipoles [step 20] | -1.265864295118396e-01 | -1.265864295118224e-01 | 6.900000000000000e-14 | -1.723621245730556e-14 | PASS |
| Forces [step 0] | 8.537673799433643e-02 | 8.537673799433354e-02 | 1.250000000000000e-14 | 2.886579864025407e-15 | PASS |
| Forces [step 20] | 7.967423673805207e-02 | 7.967423673803031e-02 | 4.640000000000000e-14 | 2.176037128265307e-14 | PASS |