Input 10-bomd.03-td_restart.inp
Commits >
Commit 3874475d54e6d4931162c1a62f5667add8f8f561 >
Run foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 1] | -1.058125197138805e+01 | -1.058125197929708e+01 | 8.700000000000000e-09 | 7.909026322749924e-09 | PASS |
| Energy [step 2] | -1.058226789868706e+01 | -1.058226790610678e+01 | 8.160000000000000e-09 | 7.419718173196088e-09 | PASS |
| Energy [step 3] | -1.058222762708998e+01 | -1.058222763507127e+01 | 9.060000000000000e-09 | 7.981292071690405e-09 | PASS |
| Energy [step 4] | -1.058219874540176e+01 | -1.058219875382902e+01 | 9.840000000000001e-09 | 8.427255338006034e-09 | PASS |
| Forces [step 1] | -2.249842232046703e-01 | -2.249842127905284e-01 | 1.150000000000000e-08 | -1.041414185443124e-08 | PASS |
| Forces [step 2] | -2.378813093124941e-01 | -2.378811867300932e-01 | 1.360000000000000e-07 | -1.225824008965759e-07 | PASS |
| Forces [step 3] | -2.490655936613939e-01 | -2.490668206371630e-01 | 1.230000000000000e-06 | 1.226975769125227e-06 | PASS |
| Forces [step 4] | -2.574368646632855e-01 | -2.574373063428386e-01 | 2.150000000000000e-06 | 4.416795530981510e-07 | PASS |