Input 10-bomd.02-td.inp
Commits >
Commit eddb1a976bbe1f1b2f6bb64793dd776e6572a2b5 >
Run intel_mpi_omp_autotools: [intel2022a-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] | -1.058158908201928e+01 | -1.058158908323670e+01 | 1.340000000000000e-09 | 1.217417278098765e-09 | PASS |
| Energy [step 3] | -1.058145773725817e+01 | -1.058145773976836e+01 | 2.760000000000000e-09 | 2.510192942395406e-09 | PASS |
| Energy [step 4] | -1.058134609279301e+01 | -1.058134609837600e+01 | 6.140000000000000e-09 | 5.582993622965660e-09 | PASS |
| Forces [step 1] | -1.538476408167039e-01 | -1.538477490161310e-01 | 1.190000000000000e-07 | 1.081994271123765e-07 | PASS |
| Forces [step 2] | -1.732218447022630e-01 | -1.732217491278353e-01 | 1.050000000000000e-07 | -9.557442773311386e-08 | PASS |
| Forces [step 3] | -1.918261821356053e-01 | -1.918264519676630e-01 | 2.970000000000000e-07 | 2.698320576977054e-07 | PASS |
| Forces [step 4] | -2.092289486727290e-01 | -2.092290828484236e-01 | 1.480000000000000e-07 | 1.341756946382500e-07 | PASS |