Input 15-crank_nicolson.05-freeze_sae.inp
Commits >
Commit b08cdf9f90eeeab45fcb6d927fb00af611869fe1 >
Run cuda: [foss2022a-cuda-mpi, ci-foss-full-cuda]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 1] | -5.571938259893882e-01 | -5.571938259894033e-01 | 4.010000000000000e-14 | 1.509903313490213e-14 | PASS |
| Energy [step 5] | -5.157327347418373e-01 | -5.157327347418467e-01 | 2.780000000000000e-14 | 9.325873406851315e-15 | PASS |
| Energy [step 10] | -5.157327347416943e-01 | -5.157327347416979e-01 | 3.030000000000000e-14 | 3.552713678800501e-15 | PASS |
| Energy [step 15] | -5.157327347416570e-01 | -5.157327347416570e-01 | 1.950000000000000e-14 | 0.000000000000000e+00 | PASS |
| Energy [step 20] | -5.157327347416863e-01 | -5.157327347416979e-01 | 4.100000000000000e-14 | 1.154631945610163e-14 | PASS |
| Dipole [step 1] | -9.402166545324776e-16 | -7.379220068245151e-16 | 5.560000000000000e-15 | -2.022946477079625e-16 | PASS |
| Dipole [step 5] | -1.928247888208906e-01 | -1.928247888208892e-01 | 4.590000000000000e-15 | -1.387778780781446e-15 | PASS |
| Dipole [step 10] | -3.545495747886679e-01 | -3.545495747886674e-01 | 4.430000000000000e-15 | -5.551115123125783e-16 | PASS |
| Dipole [step 15] | -4.859689858458452e-01 | -4.859689858458450e-01 | 2.430000000000000e-14 | -1.665334536937735e-16 | PASS |
| Dipole [step 20] | -6.087120870676888e-01 | -6.087120870676892e-01 | 6.960000000000000e-15 | 4.440892098500626e-16 | PASS |