Input 15-crank_nicolson.05-freeze_sae.inp
Commits >
Commit 3d047708c1ab8d71894fb240c9b3cff2ecebd198 >
Run foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 1] | -5.571938259893926e-01 | -5.571938259894033e-01 | 4.010000000000000e-14 | 1.065814103640150e-14 | PASS |
| Energy [step 5] | -5.157327347418338e-01 | -5.157327347418467e-01 | 2.780000000000000e-14 | 1.287858708565182e-14 | PASS |
| Energy [step 10] | -5.157327347416917e-01 | -5.157327347416979e-01 | 3.030000000000000e-14 | 6.217248937900877e-15 | PASS |
| Energy [step 15] | -5.157327347416570e-01 | -5.157327347416570e-01 | 1.950000000000000e-14 | 0.000000000000000e+00 | PASS |
| Energy [step 20] | -5.157327347416855e-01 | -5.157327347416979e-01 | 4.100000000000000e-14 | 1.243449787580175e-14 | PASS |
| Dipole [step 1] | 4.085872265524593e-16 | -7.379220068245151e-16 | 5.560000000000000e-15 | 1.146509233376974e-15 | PASS |
| Dipole [step 5] | -1.928247888208889e-01 | -1.928247888208892e-01 | 4.590000000000000e-15 | 3.053113317719180e-16 | PASS |
| Dipole [step 10] | -3.545495747886673e-01 | -3.545495747886674e-01 | 4.430000000000000e-15 | 1.110223024625157e-16 | PASS |
| Dipole [step 15] | -4.859689858458452e-01 | -4.859689858458450e-01 | 2.430000000000000e-14 | -1.665334536937735e-16 | PASS |
| Dipole [step 20] | -6.087120870676898e-01 | -6.087120870676892e-01 | 6.960000000000000e-15 | -5.551115123125783e-16 | PASS |