Input 10-bomd.03-td_restart.inp
Commits >
Commit e7de9bbf531ff65a0d18444fdbe173713a455724 >
Run foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 1] | -1.058125197138808e+01 | -1.058125197929708e+01 | 8.700000000000000e-09 | 7.908999677397333e-09 | PASS |
| Energy [step 2] | -1.058226789868534e+01 | -1.058226790610678e+01 | 8.160000000000000e-09 | 7.421443015687146e-09 | PASS |
| Energy [step 3] | -1.058222762686186e+01 | -1.058222763507127e+01 | 9.060000000000000e-09 | 8.209410040649345e-09 | PASS |
| Energy [step 4] | -1.058219874479710e+01 | -1.058219875382902e+01 | 9.840000000000001e-09 | 9.031916547996843e-09 | PASS |
| Forces [step 1] | -2.249842232060114e-01 | -2.249842127905284e-01 | 1.150000000000000e-08 | -1.041548294833383e-08 | PASS |
| Forces [step 2] | -2.378813084279215e-01 | -2.378811867300932e-01 | 1.360000000000000e-07 | -1.216978283147263e-07 | PASS |
| Forces [step 3] | -2.490665913974947e-01 | -2.490668206371630e-01 | 1.380000000000000e-06 | 2.292396683034603e-07 | PASS |
| Forces [step 4] | -2.574364500460983e-01 | -2.574373063428386e-01 | 2.150000000000000e-06 | 8.562967402925281e-07 | PASS |