ezpzbz / aiida-catmat

Collection of AiiDA WorkChains Developed in CATMAT project
MIT License
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[BUG] handling of RSPHER: internal ERROR #26

Closed ezpzbz closed 4 years ago

ezpzbz commented 4 years ago

Describe the bug

From the context point of view, it is similar to #25 Where the VASP terminated the calculation, vasprun.xml is not complete, and we get the issue.

Steps to reproduce

(I'll link inputs which results to have this issue)

Expected behavior

Running them with same settings and resources, should cause VASP to throw similar behavior but VASP is unpredivtable. So, who really knows.

Your environment

Possible solution

Once we have the described mechanism in #25 , it should not happen (at least in the case of throwing parsin exception). In order to solve the issue in VASP, it seems pretty scarce error with not much of information out there. However, so far, I found that following solutions can remedy the issue: