Input 10-bomd.03-td_restart.inp
Commits >
Commit 6fea4ae0129736a1dfe4fc8183ca68b9f7403b45 >
Run intel_omp_autotools: [intel2022a-serial]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 1] | -1.058125198618885e+01 | -1.058125197929708e+01 | 8.700000000000000e-09 | -6.891776038742137e-09 | PASS |
| Energy [step 2] | -1.058226791655184e+01 | -1.058226790610678e+01 | 8.160000000000000e-09 | -1.044505815173125e-08 | FAIL |
| Energy [step 3] | -1.058222764812787e+01 | -1.058222763507127e+01 | 9.060000000000000e-09 | -1.305659580452811e-08 | FAIL |
| Energy [step 4] | -1.058219876640963e+01 | -1.058219875382902e+01 | 9.840000000000001e-09 | -1.258061566034030e-08 | FAIL |
| Forces [step 1] | -2.249842060251670e-01 | -2.249842127905284e-01 | 1.150000000000000e-08 | 6.765361437732764e-09 | PASS |
| Forces [step 2] | -2.378812212623747e-01 | -2.378811867300932e-01 | 1.360000000000000e-07 | -3.453228150651633e-08 | PASS |
| Forces [step 3] | -2.490662675007245e-01 | -2.490668206371630e-01 | 1.380000000000000e-06 | 5.531364385136239e-07 | PASS |
| Forces [step 4] | -2.574372181469086e-01 | -2.574373063428386e-01 | 2.150000000000000e-06 | 8.819593005915394e-08 | PASS |