Skip to content

Crash when starting new calculation in same directory #1

@cstein

Description

@cstein

A rare crash has been found in

https://github.com/cstein/qfitlib/blob/master/src/qfit.F90#L223

when the user starts a new calculation in DALTON with the same not-cleaned scratch directory.

This bug has very low priority right now but should be fixable with

logical :: mepfil_exists
inquire(filename='surface.mep', exists=mepfil_exists)
if (mepfil_exists) then
    ! decide to open and overwrite or something else.
else
    ! open standard with "new"
end if

Metadata

Metadata

Assignees

Labels

Projects

No projects

Milestone

No milestone

Relationships

None yet

Development

No branches or pull requests

Issue actions