BASINP: error reading centers, also

BASINP: error reading centers, also

Postby giberger » Fri Oct 03, 2014 2:27 pm

Dear all,

I get the same error as seen in an older post.
I am generating my .47 file from a G09 revB0.1 DFT calculation using the embedded NBO 3.1.

Opening the archive file with NBORun, the NBOGen crashes with the "BASINP: : error reading centers message" in the output.
I have the last distribution of NBOPRO which is supposed to be corrected for the line legnth issue with gaussian (as seen in this older post).
My .47 file seems ok but I am not an expert (except that the lines are longer than 80 characters).

Please could someone help me?

Thanks a lot,
Gilles
giberger
 
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Re: BASINP: error reading centers, also

Postby ericg » Sun Oct 05, 2014 8:13 pm

Gilles,

I believe that NBOPro will work with .47 files from NBO 3.1 if lines are 132 characters or shorter.

Can you try this: shorten the lines in your .47 file to something less than 132 characters (there should be a small number of these lines). The input is free-format, within the 132-character restriction, so either deleting spaces or inserting carriage returns should work.

Does this fix the problem for your calculations?

Eric
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Re: BASINP: error reading centers, also

Postby giberger » Fri Oct 10, 2014 7:50 am

Ok, it works by reducing line characters below 80!

It would be good to have a fix for this.

Cheers,
Gilles
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Posts: 7
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