Input 16-bomd.02-td.inp
Commits >
Commit 968a3ff7080ffa1f89f08d37efc7416527769dec >
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 | 1.010828754033355e-09 | PASS |
| Energy [step 2] | -1.058158908201927e+01 | -1.058158908323673e+01 | 1.340000000000000e-09 | 1.217458134306071e-09 | PASS |
| Energy [step 3] | -1.058145773725839e+01 | -1.058145773976834e+01 | 2.760000000000000e-09 | 2.509951357865248e-09 | PASS |
| Energy [step 4] | -1.058134609279344e+01 | -1.058134609837270e+01 | 6.140000000000000e-09 | 5.579259720889240e-09 | PASS |
| Forces [step 1] | -1.538476408167080e-01 | -1.538477490161332e-01 | 1.190000000000000e-07 | 1.081994252527529e-07 | PASS |
| Forces [step 2] | -1.732218447022656e-01 | -1.732217491278016e-01 | 1.050000000000000e-07 | -9.557446400965119e-08 | PASS |
| Forces [step 3] | -1.918261821027981e-01 | -1.918264519326440e-01 | 2.970000000000000e-07 | 2.698298458558845e-07 | PASS |
| Forces [step 4] | -2.092289485228288e-01 | -2.092290824096458e-01 | 1.470000000000000e-07 | 1.338868169942220e-07 | PASS |