Input 10-bomd.03-td_restart.inp
Commits >
Commit 0a318c45e56ef63f4af9f74d1cdee1be197bc18e >
Run foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 1] | -1.058125197138859e+01 | -1.058125197929708e+01 | 8.700000000000000e-09 | 7.908484533913906e-09 | PASS |
| Energy [step 2] | -1.058226789868608e+01 | -1.058226790610678e+01 | 8.160000000000000e-09 | 7.420698722171437e-09 | PASS |
| Energy [step 3] | -1.058222762697216e+01 | -1.058222763507127e+01 | 9.060000000000000e-09 | 8.099114268134144e-09 | PASS |
| Energy [step 4] | -1.058219874501184e+01 | -1.058219875382902e+01 | 9.840000000000001e-09 | 8.817176322395426e-09 | PASS |
| Forces [step 1] | -2.249842232048556e-01 | -2.249842127905284e-01 | 1.150000000000000e-08 | -1.041432717840962e-08 | PASS |
| Forces [step 2] | -2.378813086335191e-01 | -2.378811867300932e-01 | 1.360000000000000e-07 | -1.219034258537199e-07 | PASS |
| Forces [step 3] | -2.490666958911212e-01 | -2.490668206371630e-01 | 1.380000000000000e-06 | 1.247460418574153e-07 | PASS |
| Forces [step 4] | -2.574376336329202e-01 | -2.574373063428386e-01 | 2.150000000000000e-06 | -3.272900815920465e-07 | PASS |