Input 15-crank_nicolson.02-kick.inp
Commits >
Commit 45adf9b0e5ec0c590d65885bc40efffc0d377767 >
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 | -2.664535259100376e-14 | PASS |
| Energy [step 10] | -1.042951819589652e+01 | -1.042951819589651e+01 | 1.040000000000000e-13 | -8.881784197001252e-15 | PASS |
| Energy [step 15] | -1.042951645116278e+01 | -1.042951645116274e+01 | 1.040000000000000e-13 | -4.085620730620576e-14 | PASS |
| Energy [step 20] | -1.042951647298866e+01 | -1.042951647298858e+01 | 1.130000000000000e-13 | -7.815970093361102e-14 | PASS |
| Dipole [step 1] | -2.070589122523617e-15 | 1.780638116610150e-16 | 6.520000000000000e-15 | -2.248652934184632e-15 | PASS |
| Dipole [step 5] | -7.295369687096951e-01 | -7.295369687093400e-01 | 3.930000000000000e-13 | -3.550493232751251e-13 | PASS |
| Dipole [step 10] | -1.339262979001111e+00 | -1.339262979000332e+00 | 8.650000000000001e-13 | -7.787104294720848e-13 | PASS |
| Dipole [step 15] | -1.833828239416945e+00 | -1.833828239416189e+00 | 8.390000000000000e-13 | -7.565059689795817e-13 | PASS |
| Dipole [step 20] | -2.215299445825976e+00 | -2.215299445825728e+00 | 2.800000000000000e-13 | -2.473576898864849e-13 | PASS |