Minor input change/bug
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rlmcavoy
- Posts: 1
- Joined: Mon Apr 25, 2016 6:39 pm
Minor input change/bug
I found a minor input "bug" in Qbox that may or may not need to be changed depending on whether one views it as a real bug or not. Under certain circumstances, Qbox will accept whitespace at the end of of the relative path when searching for a pseudopotential. If some of the lines in an input file have '\n' as the endline and the load pseudopotential line (and presumably other load/save file lines) ends with '\r\n', the '\r' will be incorporated into the pseudopotential file name and it will consequently never find the file. This was found on UChicago's Midway using 1.6.2.3.