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

[Florian Dommert]

* Shobhit Kudesia <shobhit.kudesia at gmail.com> [2009-07-08 02:53:22 +0530]:

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

You're welcome. Just one remark. When setting any CPPFLAGS or LDFLAGS
it is often helpful to put this statements in the same command line
before the call of ./configure. Though a properly generated configure
script in the correct sense of autoconf, some other scripts seem to make
trouble ( for example the MPlayer as I was told )

/Flo

>
>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>
>>>>
>>>>
>>>> !! 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 !!
>>
>> _______________________________________________
>> 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!
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>> 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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-- 
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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