Input 15-crank_nicolson.03-freeze_domains.inp
Commits >
Commit 968a3ff7080ffa1f89f08d37efc7416527769dec >
Run foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 1] | -1.022657179873566e+01 | -1.022657179873567e+01 | 1.020000000000000e-13 | 5.329070518200751e-15 | PASS |
| Energy [step 5] | -1.014067705119930e+01 | -1.014067705119932e+01 | 1.010000000000000e-13 | 1.598721155460225e-14 | PASS |
| Energy [step 10] | -1.013381790798763e+01 | -1.013381790798763e+01 | 1.010000000000000e-13 | 5.329070518200751e-15 | PASS |
| Energy [step 15] | -1.012563491015763e+01 | -1.012563491015765e+01 | 1.010000000000000e-13 | 2.309263891220326e-14 | PASS |
| Energy [step 20] | -1.011739812323844e+01 | -1.011739812323845e+01 | 1.010000000000000e-13 | 1.243449787580175e-14 | PASS |
| Dipole [step 1] | -5.329070518200751e-15 | -7.216449660063501e-16 | 8.000000000000001e-15 | -4.607425552194401e-15 | PASS |
| Dipole [step 5] | -3.955586853259918e-01 | -3.955586853259932e-01 | 9.279999999999999e-15 | 1.387778780781446e-15 | PASS |
| Dipole [step 10] | -7.406750729061589e-01 | -7.406750729061549e-01 | 7.410000000000000e-15 | -3.996802888650564e-15 | PASS |
| Dipole [step 15] | -1.039084057464611e+00 | -1.039084057464608e+00 | 1.940000000000000e-14 | -2.664535259100376e-15 | PASS |
| Dipole [step 20] | -1.295829936532786e+00 | -1.295829936532780e+00 | 1.490000000000000e-14 | -5.995204332975845e-15 | PASS |
| Projections | 2.081668171172169e-17 | 1.179611963664229e-16 | 3.610000000000000e-14 | -9.714451465470120e-17 | PASS |
| Projections | 9.999999999999999e-01 | 1.000000000000000e+00 | 3.940000000000000e-14 | -1.110223024625157e-16 | PASS |