Input 15-crank_nicolson.03-freeze_domains.inp
Commits >
Commit 3d047708c1ab8d71894fb240c9b3cff2ecebd198 >
Run foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 1] | -1.022657179873566e+01 | -1.022657179873567e+01 | 1.020000000000000e-13 | 1.065814103640150e-14 | PASS |
| Energy [step 5] | -1.014067705119930e+01 | -1.014067705119932e+01 | 1.010000000000000e-13 | 2.131628207280301e-14 | PASS |
| Energy [step 10] | -1.013381790798761e+01 | -1.013381790798763e+01 | 1.010000000000000e-13 | 1.776356839400250e-14 | PASS |
| Energy [step 15] | -1.012563491015762e+01 | -1.012563491015765e+01 | 1.010000000000000e-13 | 3.375077994860476e-14 | PASS |
| Energy [step 20] | -1.011739812323843e+01 | -1.011739812323845e+01 | 1.010000000000000e-13 | 2.486899575160351e-14 | PASS |
| Dipole [step 1] | 8.881784197001252e-16 | -7.216449660063501e-16 | 8.000000000000001e-15 | 1.609823385706475e-15 | PASS |
| Dipole [step 5] | -3.955586853259909e-01 | -3.955586853259932e-01 | 1.220000000000000e-14 | 2.275957200481571e-15 | PASS |
| Dipole [step 10] | -7.406750729061580e-01 | -7.406750729061549e-01 | 7.410000000000000e-15 | -3.108624468950438e-15 | PASS |
| Dipole [step 15] | -1.039084057464605e+00 | -1.039084057464610e+00 | 1.940000000000000e-14 | 5.551115123125783e-15 | PASS |
| Dipole [step 20] | -1.295829936532784e+00 | -1.295829936532780e+00 | 1.490000000000000e-14 | -4.218847493575595e-15 | PASS |
| Projections | 6.938893903907228e-18 | 1.179611963664229e-16 | 3.610000000000000e-14 | -1.110223024625157e-16 | PASS |
| Projections | 1.000000000000000e+00 | 1.000000000000000e+00 | 3.940000000000000e-14 | 0.000000000000000e+00 | PASS |