Input 16-bomd.02-td.inp
Commits >
Commit 4ba99df89cd19114311b0fcb367f44d4f4e26fb8 >
Run foss-cmake-zen4: [foss2023a-mpi, ci-foss-min-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 1] | -1.058173966626709e+01 | -1.058173966727793e+01 | 1.110000000000000e-09 | 1.010837635817552e-09 | PASS |
| Energy [step 2] | -1.058158908201928e+01 | -1.058158908323673e+01 | 1.340000000000000e-09 | 1.217451028878713e-09 | PASS |
| Energy [step 3] | -1.058145773725888e+01 | -1.058145773976834e+01 | 2.760000000000000e-09 | 2.509459307020734e-09 | PASS |
| Energy [step 4] | -1.058134609279447e+01 | -1.058134609837270e+01 | 6.140000000000000e-09 | 5.578229433922388e-09 | PASS |
| Forces [step 1] | -1.538476408166995e-01 | -1.538477490161332e-01 | 1.190000000000000e-07 | 1.081994337459591e-07 | PASS |
| Forces [step 2] | -1.732218447022125e-01 | -1.732217491278016e-01 | 1.050000000000000e-07 | -9.557441088547947e-08 | PASS |
| Forces [step 3] | -1.918261821827288e-01 | -1.918264519326440e-01 | 2.970000000000000e-07 | 2.697499152382044e-07 | PASS |
| Forces [step 4] | -2.092289485582440e-01 | -2.092290824096458e-01 | 1.470000000000000e-07 | 1.338514017956705e-07 | PASS |