Input 10-bomd.03-td_restart.inp
Commits >
Commit 3c5618978387ff506850febf67c434621a2adfa2 >
Run foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 1] | -1.058125197138838e+01 | -1.058125197929708e+01 | 8.700000000000000e-09 | 7.908697696734635e-09 | PASS |
| Energy [step 2] | -1.058226789868753e+01 | -1.058226790610678e+01 | 8.160000000000000e-09 | 7.419252767704165e-09 | PASS |
| Energy [step 3] | -1.058222762723556e+01 | -1.058222763507127e+01 | 9.060000000000000e-09 | 7.835712523274196e-09 | PASS |
| Energy [step 4] | -1.058219874542338e+01 | -1.058219875382902e+01 | 9.840000000000001e-09 | 8.405642404341052e-09 | PASS |
| Forces [step 1] | -2.249842232041372e-01 | -2.249842127905284e-01 | 1.150000000000000e-08 | -1.041360880860154e-08 | PASS |
| Forces [step 2] | -2.378813093660607e-01 | -2.378811867300932e-01 | 1.360000000000000e-07 | -1.226359674644240e-07 | PASS |
| Forces [step 3] | -2.490656548236195e-01 | -2.490668206371630e-01 | 1.380000000000000e-06 | 1.165813543479999e-06 | PASS |
| Forces [step 4] | -2.574368563641283e-01 | -2.574373063428386e-01 | 2.150000000000000e-06 | 4.499787103484643e-07 | PASS |