Input 05-lithium.03-td-restart.inp
Commits >
Commit 693a0d35b3d26ba3cd9b2465c2841d04084addbc >
Run cuda: [foss2022a-cuda-mpi, ci-foss-full-mpi-omp-cuda]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 20] | -5.157472968413406e-01 | -5.157472968414080e-01 | 8.530000000000000e-13 | 6.739053759474700e-14 | PASS |
| Energy [step 35] | -5.157488768599717e-01 | -5.157488768600391e-01 | 8.520000000000000e-13 | 6.739053759474700e-14 | PASS |
| Energy [step 30] | -5.157503974446633e-01 | -5.157503974447305e-01 | 8.520000000000000e-13 | 6.716849298982197e-14 | PASS |
| Vector potential [step 20] | 9.933199018482810e+00 | 9.933199018482281e+00 | 5.880000000000000e-13 | 5.293543381412746e-13 | PASS |
| Vector potential [step 25] | 9.895831472263025e+00 | 9.895831472262284e+00 | 8.240000000000000e-13 | 7.407408020299044e-13 | PASS |
| Vector potential [step 30] | 9.850341153236782e+00 | 9.850341153235828e+00 | 1.060000000000000e-12 | 9.539036227579345e-13 | PASS |