Input 16-sparskit.02-kick.inp
Commits >
Commit 23cadfdc08b3b148a9c434cb52e4be78ff32991e >
Run intel_mpi_omp_autotools: [intel2022a-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 1] | -1.058497392618080e+01 | -1.058497392618078e+01 | 1.060000000000000e-13 | -1.598721155460225e-14 | PASS |
| Energy [step 5] | -1.042952412811271e+01 | -1.042952412811269e+01 | 1.040000000000000e-13 | -1.953992523340276e-14 | PASS |
| Energy [step 10] | -1.042951822881429e+01 | -1.042951822881430e+01 | 1.040000000000000e-13 | 1.243449787580175e-14 | PASS |
| Energy [step 15] | -1.042951650355474e+01 | -1.042951650355473e+01 | 1.040000000000000e-13 | -5.329070518200751e-15 | PASS |
| Energy [step 20] | -1.042951654541481e+01 | -1.042951654541481e+01 | 1.040000000000000e-13 | 1.776356839400250e-15 | PASS |
| Dipole [step 1] | 4.492933802779930e-15 | -4.333620525691201e-16 | 7.190000000000000e-15 | 4.926295855349051e-15 | PASS |
| Dipole [step 5] | -7.295369601119490e-01 | -7.295369601119552e-01 | 7.300000000000000e-15 | 6.217248937900877e-15 | PASS |
| Dipole [step 10] | -1.339262937921839e+00 | -1.339262937921843e+00 | 1.340000000000000e-14 | 4.440892098500626e-15 | PASS |
| Dipole [step 15] | -1.833828192687666e+00 | -1.833828192687674e+00 | 1.830000000000000e-14 | 8.215650382226158e-15 | PASS |
| Dipole [step 20] | -2.215299399796868e+00 | -2.215299399796875e+00 | 2.220000000000000e-14 | 6.661338147750939e-15 | PASS |