Input 16-bomd.02-td.inp
Commits >
Commit b5086f89e5ba3598cb2c5ef57ca1b3f99761e498 >
Run intel_omp_autotools: [intel2022a-serial]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 1] | -1.058173966828877e+01 | -1.058173966727793e+01 | 1.110000000000000e-09 | -1.010842964888070e-09 | PASS |
| Energy [step 2] | -1.058158908445421e+01 | -1.058158908323673e+01 | 1.340000000000000e-09 | -1.217483003301822e-09 | PASS |
| Energy [step 3] | -1.058145774227805e+01 | -1.058145773976834e+01 | 2.760000000000000e-09 | -2.509706220621410e-09 | PASS |
| Energy [step 4] | -1.058134610369902e+01 | -1.058134609837270e+01 | 6.140000000000000e-09 | -5.326317165099681e-09 | PASS |
| Forces [step 1] | -1.538478572155715e-01 | -1.538477490161332e-01 | 1.190000000000000e-07 | -1.081994382701179e-07 | PASS |
| Forces [step 2] | -1.732216535538238e-01 | -1.732217491278016e-01 | 1.050000000000000e-07 | 9.557397778747756e-08 | PASS |
| Forces [step 3] | -1.918267217290574e-01 | -1.918264519326440e-01 | 2.970000000000000e-07 | -2.697964133768771e-07 | PASS |
| Forces [step 4] | -2.092291792568716e-01 | -2.092290824096458e-01 | 1.470000000000000e-07 | -9.684722576674965e-08 | PASS |