Input 16-bomd.02-td.inp
Commits >
Commit 235dfa244e23366de619648bda83df5634b8df23 >
Run foss_mpi_debug_autotools: [foss2023a-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 1] | -1.058173966626710e+01 | -1.058173966727793e+01 | 1.110000000000000e-09 | 1.010826977676516e-09 | PASS |
| Energy [step 2] | -1.058158908201927e+01 | -1.058158908323673e+01 | 1.340000000000000e-09 | 1.217458134306071e-09 | PASS |
| Energy [step 3] | -1.058145773725901e+01 | -1.058145773976834e+01 | 2.760000000000000e-09 | 2.509331409328297e-09 | PASS |
| Energy [step 4] | -1.058134609279471e+01 | -1.058134609837270e+01 | 6.140000000000000e-09 | 5.577986073035390e-09 | PASS |
| Forces [step 1] | -1.538476408166946e-01 | -1.538477490161332e-01 | 1.190000000000000e-07 | 1.081994386586960e-07 | PASS |
| Forces [step 2] | -1.732218447021738e-01 | -1.732217491278016e-01 | 1.050000000000000e-07 | -9.557437219420706e-08 | PASS |
| Forces [step 3] | -1.918261822418815e-01 | -1.918264519326440e-01 | 2.970000000000000e-07 | 2.696907624999412e-07 | PASS |
| Forces [step 4] | -2.092289486698482e-01 | -2.092290824096458e-01 | 1.470000000000000e-07 | 1.337397975975652e-07 | PASS |