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

[Shobhit Kudesia]

hI,
I apologize for late reply. The script you mentioned worked completely fine.
I guess I was using different shell.

Thanks a lot

On Wed, Jul 1, 2009 at 2:11 PM, Florian Dommert <
dommert at icp.uni-stuttgart.de> wrote:

> * 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>
>>>
>>>
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>>>
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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 !!
>
> _______________________________________________
> gmx-users mailing list    gmx-users at gromacs.org
> http://lists.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
>



-- 


With Warm Regards
Shobhit Kudesia
3rd year Undergraduate
Department of Biotechnology
IIT Kharagpur
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