Input 15-crank_nicolson.03-freeze_domains.inp
Commits >
Commit 23cadfdc08b3b148a9c434cb52e4be78ff32991e >
Run foss_cuda_autotools: [foss2022a-cuda-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 1] | -1.022657179873565e+01 | -1.022657179873567e+01 | 1.020000000000000e-13 | 1.598721155460225e-14 | PASS |
| Energy [step 5] | -1.014067705119931e+01 | -1.014067705119932e+01 | 1.010000000000000e-13 | 1.065814103640150e-14 | PASS |
| Energy [step 10] | -1.013381790798762e+01 | -1.013381790798763e+01 | 1.010000000000000e-13 | 1.421085471520200e-14 | PASS |
| Energy [step 15] | -1.012563491015763e+01 | -1.012563491015765e+01 | 1.010000000000000e-13 | 1.598721155460225e-14 | PASS |
| Energy [step 20] | -1.011739812323843e+01 | -1.011739812323845e+01 | 1.010000000000000e-13 | 1.598721155460225e-14 | PASS |
| Dipole [step 1] | 2.079475446817216e-15 | -7.216449660063501e-16 | 8.000000000000001e-15 | 2.801120412823566e-15 | PASS |
| Dipole [step 5] | -3.955586853259876e-01 | -3.955586853259932e-01 | 9.279999999999999e-15 | 5.551115123125783e-15 | PASS |
| Dipole [step 10] | -7.406750729061503e-01 | -7.406750729061549e-01 | 7.410000000000000e-15 | 4.551914400963142e-15 | PASS |
| Dipole [step 15] | -1.039084057464593e+00 | -1.039084057464608e+00 | 1.940000000000000e-14 | 1.509903313490213e-14 | PASS |
| Dipole [step 20] | -1.295829936532781e+00 | -1.295829936532780e+00 | 1.490000000000000e-14 | -1.110223024625157e-15 | PASS |
| Projections | -6.783270775981543e-17 | 1.179611963664229e-16 | 3.610000000000000e-14 | -1.857939041262383e-16 | PASS |
| Projections | 9.999999999999998e-01 | 1.000000000000000e+00 | 3.940000000000000e-14 | -2.220446049250313e-16 | PASS |