Input 06-caetrs.02-kick.inp
Commits >
Commit 3186a8a51be7ad5a27ccff6e8e2901df0a16a559 >
Run GCI_foss_mpi_min_autotools: [foss2022a-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 1] | -1.058497392618079e+01 | -1.058497392618078e+01 | 1.060000000000000e-13 | -1.243449787580175e-14 | PASS |
| Energy [step 5] | -1.042957396714843e+01 | -1.042957396714843e+01 | 1.040000000000000e-13 | -1.776356839400250e-15 | PASS |
| Energy [step 10] | -1.042955407412301e+01 | -1.042955407412301e+01 | 1.040000000000000e-13 | -1.776356839400250e-15 | PASS |
| Energy [step 15] | -1.042954068676079e+01 | -1.042954068676079e+01 | 1.040000000000000e-13 | -3.552713678800501e-15 | PASS |
| Energy [step 20] | -1.042953357117196e+01 | -1.042953357117197e+01 | 1.040000000000000e-13 | 5.329070518200751e-15 | PASS |
| Dipole [step 1] | 4.440892098500626e-16 | 1.780638116610150e-16 | 6.600000000000000e-15 | 2.660253981890476e-16 | PASS |
| Dipole [step 5] | -7.296259873396607e-01 | -7.296259873396698e-01 | 7.300000000000000e-15 | 9.103828801926284e-15 | FAIL |
| Dipole [step 10] | -1.339612194748666e+00 | -1.339612194748670e+00 | 1.340000000000000e-14 | 3.552713678800501e-15 | PASS |
| Dipole [step 15] | -1.834332930312640e+00 | -1.834332930312640e+00 | 9.170000000000000e-14 | -4.440892098500626e-16 | PASS |
| Dipole [step 20] | -2.215781015847288e+00 | -2.215781015847290e+00 | 2.220000000000000e-14 | 1.776356839400250e-15 | PASS |