Input 04-lithium.02-absorbing_boundaries.inp
Commits >
Commit 693a0d35b3d26ba3cd9b2465c2841d04084addbc >
Run cuda: [foss2022a-cuda-mpi, ci-foss-full-mpi-omp-cuda]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| N_electrons [step 0] | 3.000000000000002e+00 | 3.000000000000000e+00 | 2.000000000000000e-07 | 1.776356839400250e-15 | PASS |
| N_electrons [step 500] | 2.319032812654678e+00 | 2.319032666539140e+00 | 3.060000000000000e-07 | 1.461155378912338e-07 | PASS |
| norm11 [step 0] | 1.000000000000000e+00 | 1.000000000000000e+00 | 1.300000000000000e-07 | 4.440892098500626e-16 | PASS |
| norm11 [step 500] | 8.562171921140289e-01 | 8.562172618493429e-01 | 7.410000000000000e-08 | -6.973531396781141e-08 | PASS |
| norm21 [step 0] | 1.000000000000000e+00 | 1.000000000000000e+00 | 1.300000000000000e-07 | 2.220446049250313e-16 | PASS |
| norm21 [step 500] | 9.153054939599939e-01 | 9.153054751738938e-01 | 1.820000000000000e-08 | 1.878610011996074e-08 | FAIL |