Input 16-bomd.02-td.inp
Commits >
Commit b5086f89e5ba3598cb2c5ef57ca1b3f99761e498 >
Run intel_mpi_omp_autotools: [intel2022a-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 1] | -1.058173966626710e+01 | -1.058173966727793e+01 | 1.110000000000000e-09 | 1.010832306747034e-09 | PASS |
| Energy [step 2] | -1.058158908201929e+01 | -1.058158908323673e+01 | 1.340000000000000e-09 | 1.217438594380837e-09 | PASS |
| Energy [step 3] | -1.058145773725859e+01 | -1.058145773976834e+01 | 2.760000000000000e-09 | 2.509748853185556e-09 | PASS |
| Energy [step 4] | -1.058134609279384e+01 | -1.058134609837270e+01 | 6.140000000000000e-09 | 5.578861816957215e-09 | PASS |
| Forces [step 1] | -1.538476408167158e-01 | -1.538477490161332e-01 | 1.190000000000000e-07 | 1.081994174256806e-07 | PASS |
| Forces [step 2] | -1.732218447022230e-01 | -1.732217491278016e-01 | 1.050000000000000e-07 | -9.557442143259820e-08 | PASS |
| Forces [step 3] | -1.918261821742158e-01 | -1.918264519326440e-01 | 2.970000000000000e-07 | 2.697584282340681e-07 | PASS |
| Forces [step 4] | -2.092289486375681e-01 | -2.092290824096458e-01 | 1.470000000000000e-07 | 1.337720776650730e-07 | PASS |