Input 10-bomd.02-td.inp
Commits >
Commit 9a893b9dbe73f1d3f49cd24e2707361da541a5ca >
Run autotools_intel_mpi_omp: [intel2023a-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 1] | -1.058173966626710e+01 | -1.058173966727794e+01 | 1.110000000000000e-09 | 1.010837635817552e-09 | PASS |
| Energy [step 2] | -1.058158908201928e+01 | -1.058158908323670e+01 | 1.340000000000000e-09 | 1.217419054455604e-09 | PASS |
| Energy [step 3] | -1.058145773725843e+01 | -1.058145773976836e+01 | 2.760000000000000e-09 | 2.509933594296854e-09 | PASS |
| Energy [step 4] | -1.058134609279352e+01 | -1.058134609837600e+01 | 6.140000000000000e-09 | 5.582478479482234e-09 | PASS |
| Forces [step 1] | -1.538476408167133e-01 | -1.538477490161310e-01 | 1.190000000000000e-07 | 1.081994177309920e-07 | PASS |
| Forces [step 2] | -1.732218447022325e-01 | -1.732217491278353e-01 | 1.050000000000000e-07 | -9.557439722973626e-08 | PASS |
| Forces [step 3] | -1.918261821723279e-01 | -1.918264519676630e-01 | 2.970000000000000e-07 | 2.697953351282756e-07 | PASS |
| Forces [step 4] | -2.092289486822493e-01 | -2.092290828484236e-01 | 1.480000000000000e-07 | 1.341661742815248e-07 | PASS |