Input 06-caetrs.02-kick.inp
Commits >
Commit 9a893b9dbe73f1d3f49cd24e2707361da541a5ca >
Run cuda: [foss2022a-cuda-mpi, ci-foss-full-cuda]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 1] | -1.056293727506790e+01 | -1.056293727506791e+01 | 1.060000000000000e-13 | 5.329070518200751e-15 | PASS |
| Energy [step 5] | -1.040745483159455e+01 | -1.040745483159455e+01 | 1.040000000000000e-13 | 1.776356839400250e-15 | PASS |
| Energy [step 10] | -1.040743417507011e+01 | -1.040743417507012e+01 | 1.040000000000000e-13 | 1.243449787580175e-14 | PASS |
| Energy [step 15] | -1.040742113639585e+01 | -1.040742113639586e+01 | 1.040000000000000e-13 | 1.065814103640150e-14 | PASS |
| Energy [step 20] | -1.040741451973631e+01 | -1.040741451973633e+01 | 1.040000000000000e-13 | 1.776356839400250e-14 | PASS |
| Dipole [step 1] | -1.882942044471869e-15 | 1.780638116610150e-16 | 6.600000000000000e-15 | -2.061005856132884e-15 | PASS |
| Dipole [step 5] | -7.295426719525315e-01 | -7.295426719525250e-01 | 3.650000000000000e-14 | -6.550315845288424e-15 | PASS |
| Dipole [step 10] | -1.337803863058587e+00 | -1.337803863058600e+00 | 1.970000000000000e-14 | 1.332267629550188e-14 | PASS |
| Dipole [step 15] | -1.828601499014718e+00 | -1.828601499014715e+00 | 1.830000000000000e-14 | -2.886579864025407e-15 | PASS |
| Dipole [step 20] | -2.205209055720855e+00 | -2.205209055720854e+00 | 2.690000000000000e-14 | -8.881784197001252e-16 | PASS |