Input 10-bomd.03-td_restart.inp
Commits >
Commit a207e10cd726e9ee7bae9ea565d18a80e5fdcb20 >
Run foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 1] | -1.058125197138806e+01 | -1.058125197929708e+01 | 8.700000000000000e-09 | 7.909022770036245e-09 | PASS |
| Energy [step 2] | -1.058226789868527e+01 | -1.058226790610678e+01 | 8.160000000000000e-09 | 7.421510517247043e-09 | PASS |
| Energy [step 3] | -1.058222762683504e+01 | -1.058222763507127e+01 | 9.060000000000000e-09 | 8.236229476210610e-09 | PASS |
| Energy [step 4] | -1.058219874476440e+01 | -1.058219875382902e+01 | 9.840000000000001e-09 | 9.064622830123881e-09 | PASS |
| Forces [step 1] | -2.249842232063190e-01 | -2.249842127905284e-01 | 1.150000000000000e-08 | -1.041579056337838e-08 | PASS |
| Forces [step 2] | -2.378813083233934e-01 | -2.378811867300932e-01 | 1.360000000000000e-07 | -1.215933001508240e-07 | PASS |
| Forces [step 3] | -2.490665823863684e-01 | -2.490668206371630e-01 | 1.380000000000000e-06 | 2.382507945652979e-07 | PASS |
| Forces [step 4] | -2.574370733655862e-01 | -2.574373063428386e-01 | 2.150000000000000e-06 | 2.329772523790297e-07 | PASS |