From NWChem
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Just Got Here
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| 2:37:27 PM PDT - Sun, May 1st 2016 |
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Hey,
Update: please see below.
so after some hours I was able to get ECCE running on my Ubuntu VM machine since with normal setup it crashed while opening builder/viewer. Compiled it and now it's running almost fine, although the periodic table won't open (anyone know why? getting no error here - EDIT: after switching to "vertical layout" the periodic table does open too...).
But now I wanted to open an NWChem output file. Ecce output was specified with "ecce_print ecce.out". However I cannot open the file in the viewer, which strangely enough looks exactly like the builder, is there a difference?
So after a while I found I need to "import" the file rather than opening it, but there's no option for that. I've looked into manuals and everything but I cannot find the solution.
What I've noticed is that every manual which shows pictures of the viewer has a bar with "file, edit, options,..." on the top, which I got not. Maybe the option I need is in there? How can I make that bar appear?
I'm sorry if those are dumb questions, but I don't have many experience with Linux and having a very hard time finding a good way for reading my NWChem outputs...
Thanks for your help!
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EDIT: ok so I found out how to open my calculations. I see the right structure and I see a summary. However it looks like this for a DFT optimization using NWChem 6.6: output instead of something like described in the manual: summary
Same for other calculations I did. I guess my ecce output files are bad?
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Edited On 3:15:49 PM PDT - Mon, May 2nd 2016 by Densva
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