Input 10-bomd.02-td.inp
Commits >
Commit ab5faecb27d88076e64ba8608dc3fc5641398a04 >
Run foss-cmake-zen4: [foss2023a-mpi, foss-full-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 1] | -1.058173966626709e+01 | -1.058173966727794e+01 | 1.110000000000000e-09 | 1.010846517601749e-09 | PASS |
| Energy [step 2] | -1.058158908201925e+01 | -1.058158908323670e+01 | 1.340000000000000e-09 | 1.217445699808195e-09 | PASS |
| Energy [step 3] | -1.058145773725887e+01 | -1.058145773976836e+01 | 2.760000000000000e-09 | 2.509487728730164e-09 | PASS |
| Energy [step 4] | -1.058134609279443e+01 | -1.058134609837600e+01 | 6.140000000000000e-09 | 5.581570761137300e-09 | PASS |
| Forces [step 1] | -1.538476408166991e-01 | -1.538477490161310e-01 | 1.190000000000000e-07 | 1.081994319140911e-07 | PASS |
| Forces [step 2] | -1.732218447021981e-01 | -1.732217491278353e-01 | 1.050000000000000e-07 | -9.557436278506692e-08 | PASS |
| Forces [step 3] | -1.918261822132040e-01 | -1.918264519676630e-01 | 2.970000000000000e-07 | 2.697544590202217e-07 | PASS |
| Forces [step 4] | -2.092289486391039e-01 | -2.092290828484236e-01 | 1.480000000000000e-07 | 1.342093196576855e-07 | PASS |