Input 04-lithium.02-absorbing_boundaries.inp
Commits >
Commit 6099f031302cffa2938f492784ba2f7b55faffa3 >
Run foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| N_electrons [step 0] | 3.000000000000000e+00 | 3.000000000000000e+00 | 2.000000000000000e-07 | 0.000000000000000e+00 | PASS |
| N_electrons [step 500] | 2.926157668947451e+00 | 2.926157647067783e+00 | 1.820000000000000e-07 | 2.187966741118430e-08 | PASS |
| N_electrons [step 1112] | 2.353009932449979e+00 | 2.353010052117660e+00 | 3.500000000000000e-07 | -1.196676810977237e-07 | PASS |
| norm11 [step 0] | 9.999999999999999e-01 | 1.000000000000000e+00 | 1.300000000000000e-07 | -1.110223024625157e-16 | PASS |
| norm11 [step 500] | 9.848360694939020e-01 | 9.848360389306172e-01 | 1.300000000000000e-07 | 3.056328479189574e-08 | PASS |
| norm11 [step 1112] | 8.637099760897087e-01 | 8.637099847839140e-01 | 3.000000000000000e-07 | -8.694205355652684e-09 | PASS |
| norm21 [step 0] | 1.000000000000000e+00 | 1.000000000000000e+00 | 3.000000000000000e-07 | 2.220446049250313e-16 | PASS |
| norm21 [step 500] | 9.923827603110559e-01 | 9.923827888392015e-01 | 3.000000000000000e-07 | -2.852814562359640e-08 | PASS |
| norm21 [step 1112] | 9.199552860097941e-01 | 9.199554254748805e-01 | 3.000000000000000e-07 | -1.394650863684177e-07 | PASS |