Input 10-bomd.03-td_restart.inp
Commits >
Commit ff858744384f796bd1ad65ff45f26dd2d219c42c >
Run foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 1] | -1.058125197138816e+01 | -1.058125197929708e+01 | 8.700000000000000e-09 | 7.908914412269041e-09 | PASS |
| Energy [step 2] | -1.058226789868674e+01 | -1.058226790610678e+01 | 8.160000000000000e-09 | 7.420041470140859e-09 | PASS |
| Energy [step 3] | -1.058222762815643e+01 | -1.058222763507127e+01 | 9.060000000000000e-09 | 6.914842032301749e-09 | PASS |
| Energy [step 4] | -1.058219874724666e+01 | -1.058219875382902e+01 | 9.840000000000001e-09 | 6.582359546314365e-09 | PASS |
| Forces [step 1] | -2.249842232047128e-01 | -2.249842127905284e-01 | 1.150000000000000e-08 | -1.041418443148423e-08 | PASS |
| Forces [step 2] | -2.378813091435115e-01 | -2.378811867300932e-01 | 1.360000000000000e-07 | -1.224134183464010e-07 | PASS |
| Forces [step 3] | -2.490680059778645e-01 | -2.490668206371630e-01 | 1.380000000000000e-06 | -1.185340701537196e-06 | PASS |
| Forces [step 4] | -2.574372027910347e-01 | -2.574373063428386e-01 | 2.150000000000000e-06 | 1.035518039649297e-07 | PASS |