Input 10-bomd.02-td.inp
Commits >
Commit 61d12a07bb2f18211cbe349e5d87c7e10e0bf297 >
Run foss_mpi_debug_autotools: [foss2023a-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 1] | -1.058173966626710e+01 | -1.058173966727794e+01 | 1.110000000000000e-09 | 1.010835859460713e-09 | PASS |
| Energy [step 2] | -1.058158908201927e+01 | -1.058158908323670e+01 | 1.340000000000000e-09 | 1.217431488953480e-09 | PASS |
| Energy [step 3] | -1.058145773725900e+01 | -1.058145773976836e+01 | 2.760000000000000e-09 | 2.509365160108246e-09 | PASS |
| Energy [step 4] | -1.058134609279470e+01 | -1.058134609837600e+01 | 6.140000000000000e-09 | 5.581300754897711e-09 | PASS |
| Forces [step 1] | -1.538476408166937e-01 | -1.538477490161310e-01 | 1.190000000000000e-07 | 1.081994373264283e-07 | PASS |
| Forces [step 2] | -1.732218447021747e-01 | -1.732217491278353e-01 | 1.050000000000000e-07 | -9.557433938711668e-08 | PASS |
| Forces [step 3] | -1.918261822418056e-01 | -1.918264519676630e-01 | 2.970000000000000e-07 | 2.697258573436390e-07 | PASS |
| Forces [step 4] | -2.092289486715760e-01 | -2.092290828484236e-01 | 1.480000000000000e-07 | 1.341768476326166e-07 | PASS |