Input 10-bomd.03-td_restart.inp
Commits >
Commit 3c86545dbb6a164adc7b03c9886fea0d0acfc59e >
Run GCI_foss_valgrind_autotools: [foss2023a-serial]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 1] | -1.058125198742387e+01 | -1.058125197929708e+01 | 8.700000000000000e-09 | -8.126793460405679e-09 | PASS |
| Energy [step 2] | -1.058226791369217e+01 | -1.058226790610678e+01 | 8.160000000000000e-09 | -7.585386541109074e-09 | PASS |
| Energy [step 3] | -1.058222764052440e+01 | -1.058222763507127e+01 | 9.060000000000000e-09 | -5.453133056221304e-09 | PASS |
| Energy [step 4] | -1.058219875735787e+01 | -1.058219875382902e+01 | 9.840000000000001e-09 | -3.528850101019998e-09 | PASS |
| Forces [step 1] | -2.249842022017679e-01 | -2.249842127905284e-01 | 1.150000000000000e-08 | 1.058876050730184e-08 | PASS |
| Forces [step 2] | -2.378810629409223e-01 | -2.378811867300932e-01 | 1.360000000000000e-07 | 1.237891709138239e-07 | PASS |
| Forces [step 3] | -2.490664392689841e-01 | -2.490668206371630e-01 | 1.070000000000000e-06 | 3.813681789255341e-07 | PASS |
| Forces [step 4] | -2.574376011897998e-01 | -2.574373063428386e-01 | 1.840000000000000e-06 | -2.948469611796511e-07 | PASS |