Input 15-crank_nicolson.04-freeze_states.inp
Commits >
Commit 9a893b9dbe73f1d3f49cd24e2707361da541a5ca >
Run cuda: [foss2022a-cuda-mpi, ci-foss-full-cuda]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 1] | -1.022657179873565e+01 | -1.022657179873567e+01 | 1.020000000000000e-13 | 2.309263891220326e-14 | PASS |
| Energy [step 5] | -1.014067705119930e+01 | -1.014067705119932e+01 | 1.010000000000000e-13 | 2.486899575160351e-14 | PASS |
| Energy [step 10] | -1.013381790798760e+01 | -1.013381790798763e+01 | 1.010000000000000e-13 | 2.664535259100376e-14 | PASS |
| Energy [step 15] | -1.012563491015762e+01 | -1.012563491015765e+01 | 1.010000000000000e-13 | 3.019806626980426e-14 | PASS |
| Energy [step 20] | -1.011739812323843e+01 | -1.011739812323845e+01 | 1.010000000000000e-13 | 2.309263891220326e-14 | PASS |
| Dipole [step 1] | -9.774964041323053e-16 | -1.039108394869460e-15 | 5.830000000000000e-15 | 6.161199073715469e-17 | PASS |
| Dipole [step 5] | -3.955586853259908e-01 | -3.955586853259905e-01 | 6.110000000000000e-15 | -2.775557561562891e-16 | PASS |
| Dipole [step 10] | -7.406750729061543e-01 | -7.406750729061549e-01 | 7.410000000000000e-15 | 5.551115123125783e-16 | PASS |
| Dipole [step 15] | -1.039084057464595e+00 | -1.039084057464601e+00 | 1.140000000000000e-14 | 5.551115123125783e-15 | PASS |
| Dipole [step 20] | -1.295829936532783e+00 | -1.295829936532780e+00 | 1.300000000000000e-14 | -2.664535259100376e-15 | PASS |