Compiling NBO3 (yes, 3)

Compiling NBO3 (yes, 3)

Postby jdacchio » Mon Dec 31, 2018 1:42 pm

Hi all,

As the result of a suggestion at a conference, I need to get a standalone version of NBO3 working. I've managed to find the source code for the program (after searching the CCL), and am trying to compile it using g77 under Linux (Ubuntu; no dice with gfortran). After some trial and error, I've managed to get things down to only one error, after executing the command, below:

Code: Select all
jdac@ubuntu:~/Desktop/NBO_3$ g77 -o gennbo.exe -Wno-globals -fno-globals -w GENNBO.FOR
GENNBO.FOR: In subroutine `frmtmo':
         DATA BASIS/' NAO',' NHO',' NBO','NLMO'/                           
Type disagreement between expressions at (?) and (^)

I've done digging online, but have no way of figuring out how to fix this error. Can someone give me a suggestion? And I'm not a Fortran programmer...

Be well,

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Joined: Mon Aug 19, 2013 11:31 pm

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