Input 10-bomd.03-td_restart.inp
Commits >
Commit 9a893b9dbe73f1d3f49cd24e2707361da541a5ca >
Run cuda: [foss2022a-cuda-mpi, ci-foss-full-cuda]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 1] | -1.058125198717579e+01 | -1.058125197929708e+01 | 8.700000000000000e-09 | -7.878714569642398e-09 | PASS |
| Energy [step 2] | -1.058226791345098e+01 | -1.058226790610678e+01 | 8.160000000000000e-09 | -7.344201691239505e-09 | PASS |
| Energy [step 3] | -1.058222763949462e+01 | -1.058222763507127e+01 | 9.060000000000000e-09 | -4.423352351068388e-09 | PASS |
| Energy [step 4] | -1.058219875607034e+01 | -1.058219875382902e+01 | 9.840000000000001e-09 | -2.241325347540624e-09 | PASS |
| Forces [step 1] | -2.249842024229287e-01 | -2.249842127905284e-01 | 1.150000000000000e-08 | 1.036759975092671e-08 | PASS |
| Forces [step 2] | -2.378810647453917e-01 | -2.378811867300932e-01 | 1.360000000000000e-07 | 1.219847015065945e-07 | PASS |
| Forces [step 3] | -2.490662628598808e-01 | -2.490668206371630e-01 | 1.230000000000000e-06 | 5.577772821674376e-07 | PASS |
| Forces [step 4] | -2.574366402332597e-01 | -2.574373063428386e-01 | 2.150000000000000e-06 | 6.661095789395333e-07 | PASS |