Input 05-lithium.02-td.inp
Commits >
Commit 693a0d35b3d26ba3cd9b2465c2841d04084addbc >
Run cuda: [foss2022a-cuda-mpi, ci-foss-full-mpi-omp-cuda]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 1] | -5.157407024878097e-01 | -5.157407024878778e-01 | 8.570000000000000e-13 | 6.816769371198461e-14 | PASS |
| Energy [step 5] | -5.157422641338266e-01 | -5.157422641338946e-01 | 8.560000000000000e-13 | 6.794564910705958e-14 | PASS |
| Energy [step 10] | -5.157439811337750e-01 | -5.157439811338429e-01 | 8.550000000000000e-13 | 6.794564910705958e-14 | PASS |
| Energy [step 15] | -5.157456625508329e-01 | -5.157456625509005e-01 | 8.540000000000000e-13 | 6.761258219967203e-14 | PASS |
| Energy [step 20] | -5.157472968413406e-01 | -5.157472968414080e-01 | 8.530000000000000e-13 | 6.739053759474700e-14 | PASS |
| Vector potential [step 1] | 1.000000000000000e+01 | 1.000000000000000e+01 | 1.000000000000000e-01 | 0.000000000000000e+00 | PASS |
| Vector potential [step 5] | 9.995809683997518e+00 | 9.995809683997477e+00 | 1.000000000000000e-13 | 4.085620730620576e-14 | PASS |
| Vector potential [step 10] | 9.983251615815691e+00 | 9.983251615815531e+00 | 1.770000000000000e-13 | 1.598721155460225e-13 | PASS |
| Vector potential [step 15] | 9.962362627886622e+00 | 9.962362627886289e+00 | 3.680000000000000e-13 | 3.321787289678468e-13 | PASS |
| Vector potential [step 20] | 9.933199018482810e+00 | 9.933199018482281e+00 | 5.880000000000000e-13 | 5.293543381412746e-13 | PASS |