Input 10-bomd.03-td_restart.inp
Commits >
Commit 16a288d93f4684890591c6dab8ffeadb82c84e9a >
Run foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 1] | -1.058125197138828e+01 | -1.058125197929708e+01 | 8.700000000000000e-09 | 7.908802501788159e-09 | PASS |
| Energy [step 2] | -1.058226789868607e+01 | -1.058226790610678e+01 | 8.160000000000000e-09 | 7.420705827598795e-09 | PASS |
| Energy [step 3] | -1.058222762748558e+01 | -1.058222763507127e+01 | 9.060000000000000e-09 | 7.585688521771772e-09 | PASS |
| Energy [step 4] | -1.058219874614303e+01 | -1.058219875382902e+01 | 9.840000000000001e-09 | 7.685986957994828e-09 | PASS |
| Forces [step 1] | -2.249842232069273e-01 | -2.249842127905284e-01 | 1.150000000000000e-08 | -1.041639891008472e-08 | PASS |
| Forces [step 2] | -2.378813081054605e-01 | -2.378811867300932e-01 | 1.360000000000000e-07 | -1.213753672568707e-07 | PASS |
| Forces [step 3] | -2.490662195279095e-01 | -2.490668206371630e-01 | 1.230000000000000e-06 | 6.011092535118667e-07 | PASS |
| Forces [step 4] | -2.574364925002536e-01 | -2.574373063428386e-01 | 2.150000000000000e-06 | 8.138425849901765e-07 | PASS |