Input 05-lithium.02-td.inp
Commits >
Commit 968a3ff7080ffa1f89f08d37efc7416527769dec >
Run foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 1] | -5.157407024878102e-01 | -5.157407024878778e-01 | 8.570000000000000e-13 | 6.761258219967203e-14 | PASS |
| Energy [step 5] | -5.157422641338270e-01 | -5.157422641338946e-01 | 8.560000000000000e-13 | 6.761258219967203e-14 | PASS |
| Energy [step 10] | -5.157439811337756e-01 | -5.157439811338429e-01 | 8.550000000000000e-13 | 6.727951529228449e-14 | PASS |
| Energy [step 15] | -5.157456625508335e-01 | -5.157456625509005e-01 | 8.540000000000000e-13 | 6.694644838489694e-14 | PASS |
| Energy [step 20] | -5.157472968413410e-01 | -5.157472968414080e-01 | 8.530000000000000e-13 | 6.694644838489694e-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 |