Input 10-bomd.02-td.inp
Commits >
Commit 3d047708c1ab8d71894fb240c9b3cff2ecebd198 >
Run foss-cmake-zen4: [foss2023a-mpi, foss-full-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 1] | -1.058173966626710e+01 | -1.058173966727794e+01 | 1.110000000000000e-09 | 1.010844741244910e-09 | PASS |
| Energy [step 2] | -1.058158908201926e+01 | -1.058158908323670e+01 | 1.340000000000000e-09 | 1.217440370737677e-09 | PASS |
| Energy [step 3] | -1.058145773725887e+01 | -1.058145773976836e+01 | 2.760000000000000e-09 | 2.509491281443843e-09 | PASS |
| Energy [step 4] | -1.058134609279441e+01 | -1.058134609837600e+01 | 6.140000000000000e-09 | 5.581592077419373e-09 | PASS |
| Forces [step 1] | -1.538476408166621e-01 | -1.538477490161310e-01 | 1.190000000000000e-07 | 1.081994688845178e-07 | PASS |
| Forces [step 2] | -1.732218447021613e-01 | -1.732217491278353e-01 | 1.050000000000000e-07 | -9.557432600892923e-08 | PASS |
| Forces [step 3] | -1.918261822122464e-01 | -1.918264519676630e-01 | 2.970000000000000e-07 | 2.697554166153360e-07 | PASS |
| Forces [step 4] | -2.092289486419184e-01 | -2.092290828484236e-01 | 1.480000000000000e-07 | 1.342065051590513e-07 | PASS |