Input 10-bomd.03-td_restart.inp
Commits >
Commit 6099f031302cffa2938f492784ba2f7b55faffa3 >
Run foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 1] | -1.058125197138809e+01 | -1.058125197929708e+01 | 8.700000000000000e-09 | 7.908989019256296e-09 | PASS |
| Energy [step 2] | -1.058226789868550e+01 | -1.058226790610678e+01 | 8.160000000000000e-09 | 7.421283143571600e-09 | PASS |
| Energy [step 3] | -1.058222762696279e+01 | -1.058222763507127e+01 | 9.060000000000000e-09 | 8.108480997748302e-09 | PASS |
| Energy [step 4] | -1.058219874493559e+01 | -1.058219875382902e+01 | 9.840000000000001e-09 | 8.893426439726682e-09 | PASS |
| Forces [step 1] | -2.249842232057035e-01 | -2.249842127905284e-01 | 1.150000000000000e-08 | -1.041517513900025e-08 | PASS |
| Forces [step 2] | -2.378813085707721e-01 | -2.378811867300932e-01 | 1.360000000000000e-07 | -1.218406789071924e-07 | PASS |
| Forces [step 3] | -2.490666315324862e-01 | -2.490668206371630e-01 | 1.230000000000000e-06 | 1.891046768343063e-07 | PASS |
| Forces [step 4] | -2.574371624913689e-01 | -2.574373063428386e-01 | 1.840000000000000e-06 | 1.438514697360560e-07 | PASS |