| 9:33:50 AM PDT - Wed, Jul 25th 2012 |
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Hmmm, the change in the include file might not have triggered a remake of all the files that use this file. You may have to:
in src/nwdft do a "make clean"
in src/nwdft do a make
in src/ do a make link
If this doesn't help, I strongly recommend doing a "make clean" in src/ and rebuild NWChem.
Bert
Quote:Jtravers Jul 24th 3:00 pmHi bert,
I made the suggested changes and recompiled everything, but it did not work. I got error messages like " Numerical result out of range" and "Segmentation Violation error, status=: 11". Any further suggestions?
best
JT |