Input 10-bomd.03-td_restart.inp
Commits >
Commit 6fea4ae0129736a1dfe4fc8183ca68b9f7403b45 >
Run foss-cmake-zen4: [foss2023a-serial, foss-full]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 1] | -1.058125198610743e+01 | -1.058125197929708e+01 | 8.700000000000000e-09 | -6.810346064867190e-09 | PASS |
| Energy [step 2] | -1.058226791742066e+01 | -1.058226790610678e+01 | 8.160000000000000e-09 | -1.131388138730927e-08 | FAIL |
| Energy [step 3] | -1.058222764965599e+01 | -1.058222763507127e+01 | 9.060000000000000e-09 | -1.458471565740638e-08 | FAIL |
| Energy [step 4] | -1.058219876780575e+01 | -1.058219875382902e+01 | 9.840000000000001e-09 | -1.397672733105537e-08 | FAIL |
| Forces [step 1] | -2.249842062480507e-01 | -2.249842127905284e-01 | 1.150000000000000e-08 | 6.542477726245721e-09 | PASS |
| Forces [step 2] | -2.378819101548479e-01 | -2.378811867300932e-01 | 1.360000000000000e-07 | -7.234247546561434e-07 | FAIL |
| Forces [step 3] | -2.490665230073476e-01 | -2.490668206371630e-01 | 1.380000000000000e-06 | 2.976298154044876e-07 | PASS |
| Forces [step 4] | -2.574370095997258e-01 | -2.574373063428386e-01 | 2.150000000000000e-06 | 2.967431128597653e-07 | PASS |