Re: [AMBER] nab problems: compile and use on different machines

From: Jason Swails <jason.swails.gmail.com>
Date: Sun, 13 Feb 2011 19:05:26 -0500

Glad to see that you found a solution.

Keep in mind, though, that any calls to Fortran subroutines (i.e. BLAS or
PBSA) will probably not work unless you also included the statically linked
libraries/executables (and even then I've never tried it so I can't be 100%
sure).

Good luck!
Jason

On Sun, Feb 13, 2011 at 4:51 PM, Anselm Horn <
Anselm.Horn.biochem.uni-erlangen.de> wrote:

> Dear Jason,
>
> thanks for your response.
>
> I'm afraid you're right, to me it looks like the path is hard-coded into
> the nab-executables. Because I don't have the right combination of
> icc/ifort or gcc/gfortran for some reasons, I could not recompile nab,
> even with "make nabonly".
>
> However, I was able to manually patch the executables and libraries in a
> dirty way, i.e. I used something like "sed -i -e
> 's./first/directory/of/amber11/@/2nd/directory/.g' ". It worked for me,
> because the first directory name was longer than the second, so I could
> fill up the rest of the string.
>
> Hopefully, future revisions of nab will have a command line switch to
> change the default path; (but maybe, there is already this feature, and
> I haven't found it.)
>
> I just wanted to tell the list, that there seems to be indeed a
> quick-and-dirty way to "port" the nab application to a different system.
>
> Best regards,
>
> Anselm
>
>
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>



-- 
Jason M. Swails
Quantum Theory Project,
University of Florida
Ph.D. Candidate
352-392-4032
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Received on Sun Feb 13 2011 - 16:30:01 PST
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