Weird stdout behavior - Githubissues

ulissigroup / vasp-interactive

GNU Lesser General Public License v2.1

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Weird stdout behavior #35

Closed alchem0x2A closed 1 year ago

alchem0x2A commented 1 year ago

In some cases VaspInteractive fails to update the vasp.out file even if the first ionic step is finished as indicated by the OUTCAR, preventing its combination with packages like custodian. Need to check why and possibly add the flush of stdout

alchem0x2A commented 1 year ago

TODOs

[x] Add force flush stdout
[x] Unit test script on nersc using shifter image (Cori haswell should be fine)

alchem0x2A commented 1 year ago

all combinations of tests on NERSC clusters finished. Close issue.