Input 10-bomd.03-td_restart.inp
Commits >
Commit 693a0d35b3d26ba3cd9b2465c2841d04084addbc >
Run cuda: [foss2022a-cuda-mpi, ci-foss-full-cuda]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 1] | -1.058125198718827e+01 | -1.058125197929708e+01 | 8.700000000000000e-09 | -7.891195252796024e-09 | PASS |
| Energy [step 2] | -1.058226791346988e+01 | -1.058226790610678e+01 | 8.160000000000000e-09 | -7.363102128010723e-09 | PASS |
| Energy [step 3] | -1.058222764037862e+01 | -1.058222763507127e+01 | 9.060000000000000e-09 | -5.307345674054886e-09 | PASS |
| Energy [step 4] | -1.058219875799267e+01 | -1.058219875382902e+01 | 9.840000000000001e-09 | -4.163648981148071e-09 | PASS |
| Forces [step 1] | -2.249842023905176e-01 | -2.249842127905284e-01 | 1.150000000000000e-08 | 1.040001079699593e-08 | PASS |
| Forces [step 2] | -2.378810660329041e-01 | -2.378811867300932e-01 | 1.360000000000000e-07 | 1.206971891043462e-07 | PASS |
| Forces [step 3] | -2.490664812213825e-01 | -2.490668206371630e-01 | 1.230000000000000e-06 | 3.394157805369780e-07 | PASS |
| Forces [step 4] | -2.574377103802810e-01 | -2.574373063428386e-01 | 2.150000000000000e-06 | -4.040374423919246e-07 | PASS |