[gmx-users] Configure (beginner level question)

[Florian Dommert]

Ramadas Sunil Pophale wrote:
> Dear gromacs users,
>
> In all likelyhood this subject has been beaten to death on this listserv,
> yet I have so far been unable to configure gormacs on red-hat-linux.
>
> It is looking for the fftw3.h, however, I have intel mkl library installed
> in /opt/intel/mkl
>
> I tried to configure using the following option,
>
> ./configure CPPFLAGS="-I/opt/intel/mkl/9.1.023/include"
> LDFLAGS="-L/opt/intel/mkl/9.1.023/lib"
>
> but it still keeps looking for fftw3.h Do I have to somehow make mkl as
> the default external FFT library? I would appreciate if somebody points
> out what I need to do here.
>
> Thanks in advance for your help.
>
>   
Hello,
there is a further configure option --with-fft=mkl. Perhaps this will
solve your problem.
However it is very useful to look what configure can do (./configure --help)

Best Regards

Flo


> Have a nice day!
>
> Regards,
>
> Ramdas Pophale.
>
> _______________________________________________
> gmx-users mailing list    gmx-users at gromacs.org
> http://www.gromacs.org/mailman/listinfo/gmx-users
> Please search the archive at http://www.gromacs.org/search before posting!
> Please don't post (un)subscribe requests to the list. Use the 
> www interface or send it to gmx-users-request at gromacs.org.
> Can't post? Read http://www.gromacs.org/mailing_lists/users.php
>
>   


-- 
Florian Dommert
Dipl.-Phys.

Computational and Theoretical Softmatter & Biophysics group

Frankfurt Institute for Advanced Studies
Johann-Wolfgang-Goethe University

Ruth-Moufang-Str. 1
60438 Frankfurt am Main

Phone: +49(0)69 / 798 - 47522
Fax:   +49(0)69 / 798 - 47611

EMail: dommert at fias.uni-frankfurt.de
Home: http://fias.uni-frankfurt.de/~simbio/Florian_Dommert


-------------- next part --------------
A non-text attachment was scrubbed...
Name: signature.asc
Type: application/pgp-signature
Size: 252 bytes
Desc: OpenPGP digital signature
URL: <http://maillist.sys.kth.se/pipermail/gromacs.org_gmx-users/attachments/20080429/9ea39057/attachment.sig>