Input 15-crank_nicolson.02-kick.inp
Commits >
Commit 23cadfdc08b3b148a9c434cb52e4be78ff32991e >
Run foss_cuda_autotools: [foss2022a-cuda-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 1] | -1.058497392618077e+01 | -1.058497392618078e+01 | 1.060000000000000e-13 | 5.329070518200751e-15 | PASS |
| Energy [step 5] | -1.042952410766972e+01 | -1.042952410766969e+01 | 1.040000000000000e-13 | -2.842170943040401e-14 | PASS |
| Energy [step 10] | -1.042951819589651e+01 | -1.042951819589651e+01 | 1.040000000000000e-13 | -5.329070518200751e-15 | PASS |
| Energy [step 15] | -1.042951645116278e+01 | -1.042951645116274e+01 | 1.040000000000000e-13 | -4.085620730620576e-14 | PASS |
| Energy [step 20] | -1.042951647298865e+01 | -1.042951647298858e+01 | 1.130000000000000e-13 | -7.460698725481052e-14 | PASS |
| Dipole [step 1] | 2.250250766971940e-15 | 1.780638116610150e-16 | 6.520000000000000e-15 | 2.072186955310925e-15 | PASS |
| Dipole [step 5] | -7.295369687096898e-01 | -7.295369687093400e-01 | 3.930000000000000e-13 | -3.497202527569243e-13 | PASS |
| Dipole [step 10] | -1.339262979001107e+00 | -1.339262979000332e+00 | 8.650000000000001e-13 | -7.756018050031344e-13 | PASS |
| Dipole [step 15] | -1.833828239416941e+00 | -1.833828239416189e+00 | 8.390000000000000e-13 | -7.522871214860061e-13 | PASS |
| Dipole [step 20] | -2.215299445825972e+00 | -2.215299445825728e+00 | 2.800000000000000e-13 | -2.438049762076844e-13 | PASS |