Input 10-bomd.03-td_restart.inp
Commits >
Commit 968a3ff7080ffa1f89f08d37efc7416527769dec >
Run foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 1] | -1.058125197138826e+01 | -1.058125197929708e+01 | 8.700000000000000e-09 | 7.908816712642874e-09 | PASS |
| Energy [step 2] | -1.058226789868879e+01 | -1.058226790610678e+01 | 8.160000000000000e-09 | 7.417986225277673e-09 | PASS |
| Energy [step 3] | -1.058222762696807e+01 | -1.058222763507127e+01 | 9.060000000000000e-09 | 8.103201665221604e-09 | PASS |
| Energy [step 4] | -1.058219874503821e+01 | -1.058219875382902e+01 | 9.840000000000001e-09 | 8.790806305114529e-09 | PASS |
| Forces [step 1] | -2.249842232082827e-01 | -2.249842127905284e-01 | 1.150000000000000e-08 | -1.041775429810876e-08 | PASS |
| Forces [step 2] | -2.378813081969435e-01 | -2.378811867300932e-01 | 1.360000000000000e-07 | -1.214668503279892e-07 | PASS |
| Forces [step 3] | -2.490663350492552e-01 | -2.490668206371630e-01 | 1.230000000000000e-06 | 4.855879077725334e-07 | PASS |
| Forces [step 4] | -2.574371076762012e-01 | -2.574373063428386e-01 | 2.150000000000000e-06 | 1.986666374187429e-07 | PASS |