Input 10-bomd.03-td_restart.inp
Commits >
Commit ff858744384f796bd1ad65ff45f26dd2d219c42c >
Run foss_cuda_autotools: [foss2022a-cuda-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 1] | -1.058125198717963e+01 | -1.058125197929708e+01 | 8.700000000000000e-09 | -7.882546171344984e-09 | PASS |
| Energy [step 2] | -1.058226791345333e+01 | -1.058226790610678e+01 | 8.160000000000000e-09 | -7.346546482267513e-09 | PASS |
| Energy [step 3] | -1.058222763872747e+01 | -1.058222763507127e+01 | 9.060000000000000e-09 | -3.656195346479763e-09 | PASS |
| Energy [step 4] | -1.058219875476236e+01 | -1.058219875382902e+01 | 9.840000000000001e-09 | -9.333387396281978e-10 | PASS |
| Forces [step 1] | -2.249842024206599e-01 | -2.249842127905284e-01 | 1.150000000000000e-08 | 1.036986846392196e-08 | PASS |
| Forces [step 2] | -2.378810636704449e-01 | -2.378811867300932e-01 | 1.360000000000000e-07 | 1.230596483048352e-07 | PASS |
| Forces [step 3] | -2.490660395286634e-01 | -2.490668206371630e-01 | 1.380000000000000e-06 | 7.811084996589557e-07 | PASS |
| Forces [step 4] | -2.574364319552980e-01 | -2.574373063428386e-01 | 2.150000000000000e-06 | 8.743875406502788e-07 | PASS |