[gmx-users] Installation problem:fftw3f lib. not found.

[Florian Dommert]

* Shobhit Kudesia <shobhit.kudesia at gmail.com> [2009-06-30 21:19:47 -0400]:

>Hi,
>
>I installed  fftw as follows (creating single- and double-precision
>versions) :
>
>./configure --enable-threads --enable-float --prefix=/home/kudesias/fftw
>make
>make install
>
>make distclean
>
>./configure --enable-threads --prefix=/home/kudesias/fftw
>make
>make install
>
>I also used
>export CPPFLAGS=-I/home/kudesias/fftw/include
>export LDFLAGS=-L/home/kudesias/fftw/lib ( Initially I used I in place of L
>so I corrected it)
>
>On using the configure script
>
>./configure  --enable-mpi
>
> I  get the following error then
>
>checking how to hardcode library paths into programs... immediate
>checking for special C compiler options needed for large files... no
>checking for _FILE_OFFSET_BITS value needed for large files... no
>checking for _LARGEFILE_SOURCE value needed for large files... 1
>checking for sqrt in -lm... yes
>checking for fftw3.h... configure: error: Cannot find the default external
>FFT library (fftw3).
>
>I will be glad if you can help with this.

I tried your procedure on my computer and the configure script finished
without trouble. Are your sure using fftw**3** ? In case you use fftw2
you have to tell the script.

Another problem can be that you set the enviroment variables in another
shell window as you execute the configure script, because then CPPFLAGS
and LDFLAGS are not present anymore.

To be on the safe side put all in one line:

./configure --prefix=$HOME/gmx4 LDFLAGS=-L$HOME/fftw/lib CPPFLAGS=-I$HOME/fftw/include

This command line should work for you, in case FFTW3 is located as you
mentioned before. So try copy&paste and tell us over the mailing list
what happend.

Flo

>
>Thanks
>
>
>On Thu, Jun 25, 2009 at 2:08 AM, Florian Dommert <
>dommert at icp.uni-stuttgart.de> wrote:
>
>> * Shobhit Kudesia <shobhit.kudesia at gmail.com> [2009-06-25 01:55:00 +0530]:
>>
>>
>>  Hi ,
>>>
>>> During the ./configure of gromacs on my Bash Shell, I get the following
>>> error:
>>>
>>> configure: error: Cannot find fftw3f library
>>>
>>> I have installed fftw3 files in a directory other than usr/local. I
>>> have installed fftw3 both with double and single precision but I still
>>> get the error while configuration of GROMACS for default single
>>> precision. I have also included the libraries  usinG CPPFLAGS &
>>> LDFLAGS.
>>>
>>
>> If you have installed the single version of FFTW3 and supply the
>> corresponding CPPFLAGS and LDFLAGS to configure then the script will
>> find the libraries. So two errors are very likely though we do not
>> anything about your installation:
>>
>> * a small typo in the configure line ( if you present it here, everybody
>> can
>> judge this )
>>
>> * the installation of the single precision fftw3f failed for any reasons
>>
>> Flo
>>
>>>
>>> Any help will be appreciated
>>> _______________________________________________
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>>
>> --
>> Florian Dommert
>> Dipl.-Phys.
>>
>> Institute for Computational Physics
>> University Stuttgart
>>
>> Pfaffenwaldring 27
>> 70569 Stuttgart
>>
>> Tel: +49 - 711 / 6856-3613
>> Fax: +49 - 711 / 6856-3658
>>
>> EMail: dommert at icp.uni-stuttgart.de
>> Home: http://www.icp.uni-stuttgart.de/~icp/Florian_Dommert<http://www.icp.uni-stuttgart.de/%7Eicp/Florian_Dommert>
>>
>> !! PGP-ENCODED emails preferred !!
>>
>> _______________________________________________
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>>
>
>
>
>-- 
>
>
>With Warm Regards
>Shobhit Kudesia
>3rd year Undergraduate
>Department of Biotechnology
>IIT Kharagpur

>_______________________________________________
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-- 
Florian Dommert
Dipl.-Phys.

Institute for Computational Physics
University Stuttgart

Pfaffenwaldring 27
70569 Stuttgart

Tel: +49 - 711 / 6856-3613
Fax: +49 - 711 / 6856-3658

EMail: dommert at icp.uni-stuttgart.de
Home: http://www.icp.uni-stuttgart.de/~icp/Florian_Dommert

!! PGP-ENCODED emails preferred !!
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