Input 16-sparskit.02-kick.inp
Commits >
Commit 9c5e1a9ae4a97d24a493b8c6c0caa96edfef5d41 >
Run foss_mpi_debug_autotools: [foss2023a-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 1] | -1.058497392618079e+01 | -1.058497392618078e+01 | 1.060000000000000e-13 | -7.105427357601002e-15 | PASS |
| Energy [step 5] | -1.042952412811270e+01 | -1.042952412811269e+01 | 1.040000000000000e-13 | -1.243449787580175e-14 | PASS |
| Energy [step 10] | -1.042951822881427e+01 | -1.042951822881430e+01 | 1.040000000000000e-13 | 2.486899575160351e-14 | PASS |
| Energy [step 15] | -1.042951650355473e+01 | -1.042951650355473e+01 | 1.040000000000000e-13 | -3.552713678800501e-15 | PASS |
| Energy [step 20] | -1.042951654541482e+01 | -1.042951654541481e+01 | 1.040000000000000e-13 | -5.329070518200751e-15 | PASS |
| Dipole [step 1] | 4.111294638065033e-15 | -4.333620525691201e-16 | 7.190000000000000e-15 | 4.544656690634153e-15 | PASS |
| Dipole [step 5] | -7.295369601119480e-01 | -7.295369601119552e-01 | 7.300000000000000e-15 | 7.216449660063518e-15 | PASS |
| Dipole [step 10] | -1.339262937921841e+00 | -1.339262937921843e+00 | 1.340000000000000e-14 | 2.220446049250313e-15 | PASS |
| Dipole [step 15] | -1.833828192687665e+00 | -1.833828192687674e+00 | 1.830000000000000e-14 | 9.325873406851315e-15 | PASS |
| Dipole [step 20] | -2.215299399796870e+00 | -2.215299399796875e+00 | 2.220000000000000e-14 | 4.884981308350689e-15 | PASS |