Input 10-bomd.02-td.inp
Commits >
Commit b5086f89e5ba3598cb2c5ef57ca1b3f99761e498 >
Run intel_mpi_omp_autotools: [intel2022a-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 1] | -1.058173966626710e+01 | -1.058173966727794e+01 | 1.110000000000000e-09 | 1.010837635817552e-09 | PASS |
| Energy [step 2] | -1.058158908201928e+01 | -1.058158908323670e+01 | 1.340000000000000e-09 | 1.217415501741925e-09 | PASS |
| Energy [step 3] | -1.058145773725847e+01 | -1.058145773976836e+01 | 2.760000000000000e-09 | 2.509890961732708e-09 | PASS |
| Energy [step 4] | -1.058134609279361e+01 | -1.058134609837600e+01 | 6.140000000000000e-09 | 5.582389661640264e-09 | PASS |
| Forces [step 1] | -1.538476408167133e-01 | -1.538477490161310e-01 | 1.190000000000000e-07 | 1.081994177309920e-07 | PASS |
| Forces [step 2] | -1.732218447022293e-01 | -1.732217491278353e-01 | 1.050000000000000e-07 | -9.557439401008949e-08 | PASS |
| Forces [step 3] | -1.918261821779012e-01 | -1.918264519676630e-01 | 2.970000000000000e-07 | 2.697897618364475e-07 | PASS |
| Forces [step 4] | -2.092289486825117e-01 | -2.092290828484236e-01 | 1.480000000000000e-07 | 1.341659118525573e-07 | PASS |