Input 10-bomd.03-td_restart.inp
Commits >
Commit efc44ae2259e56922145db535c825ce53e4127cb >
Run foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 1] | -1.058125197138829e+01 | -1.058125197929708e+01 | 8.700000000000000e-09 | 7.908784738219765e-09 | PASS |
| Energy [step 2] | -1.058226789868556e+01 | -1.058226790610678e+01 | 8.160000000000000e-09 | 7.421224523795900e-09 | PASS |
| Energy [step 3] | -1.058222762686877e+01 | -1.058222763507127e+01 | 9.060000000000000e-09 | 8.202500012544078e-09 | PASS |
| Energy [step 4] | -1.058219874508198e+01 | -1.058219875382902e+01 | 9.840000000000001e-09 | 8.747036872591707e-09 | PASS |
| Forces [step 1] | -2.249842232056743e-01 | -2.249842127905284e-01 | 1.150000000000000e-08 | -1.041514591237913e-08 | PASS |
| Forces [step 2] | -2.378813084385862e-01 | -2.378811867300932e-01 | 1.360000000000000e-07 | -1.217084930338341e-07 | PASS |
| Forces [step 3] | -2.490665937485438e-01 | -2.490668206371630e-01 | 1.380000000000000e-06 | 2.268886192258179e-07 | PASS |
| Forces [step 4] | -2.574373704362974e-01 | -2.574373063428386e-01 | 2.150000000000000e-06 | -6.409345876257078e-08 | PASS |