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jadconnolly / Perple_X

GNU General Public License v3.0
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Meaningless error/ warning message "can this be?" in PSSECT program #3

Open oshawa-connection opened 1 year ago

oshawa-connection commented 1 year ago

Hi there! Thanks for making Perple_x :)

I've run into a problem when running PSSECT, looks like the message is coming from this line here:

https://github.com/jadconnolly/Perple_X/blob/238fc8063eacec83d96f2de00598a291c613fd8a/src/psect.f#L645

Just wondering if the error could be made more meaningful. Currently I'm not sure what the message means!

Cheers

jadconnolly commented 1 year ago

you're welcome! the message indicates nodal coordinates at which there is no assigned phase assemblage. It's not a serious error because in general the grid is not fully populated, what's peculiar is that the pointer has the wrong value, 0 rather than the value of parameter k2. I added the message (years ago) to remind me to look for the reason. if you have a calculation that generates a lot of those msg's and can send me the input/option file you used i'd be happy to look at what's going on.