Input 10-bomd.02-td.inp
Commits >
Commit 9a893b9dbe73f1d3f49cd24e2707361da541a5ca >
Run cuda: [foss2022a-cuda-mpi, ci-foss-full-mpi-omp-cuda]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 1] | -1.058173966626709e+01 | -1.058173966727794e+01 | 1.110000000000000e-09 | 1.010850070315428e-09 | PASS |
| Energy [step 2] | -1.058158908201926e+01 | -1.058158908323670e+01 | 1.340000000000000e-09 | 1.217438594380837e-09 | PASS |
| Energy [step 3] | -1.058145773725894e+01 | -1.058145773976836e+01 | 2.760000000000000e-09 | 2.509425556240785e-09 | PASS |
| Energy [step 4] | -1.058134609279460e+01 | -1.058134609837600e+01 | 6.140000000000000e-09 | 5.581405559951236e-09 | PASS |
| Forces [step 1] | -1.538476408166903e-01 | -1.538477490161310e-01 | 1.190000000000000e-07 | 1.081994406848530e-07 | PASS |
| Forces [step 2] | -1.732218447021814e-01 | -1.732217491278353e-01 | 1.050000000000000e-07 | -9.557434610396598e-08 | PASS |
| Forces [step 3] | -1.918261822217361e-01 | -1.918264519676630e-01 | 2.970000000000000e-07 | 2.697459269007663e-07 | PASS |
| Forces [step 4] | -2.092289486352396e-01 | -2.092290828484236e-01 | 1.480000000000000e-07 | 1.342131839554561e-07 | PASS |