[gmx-users] configure problem in SGI

[Erik Lindahl]

Hi,

Please read through and follow the detailed installation instructions at

http://www.gromacs.org/installation/index.php

  Based in the limited output below it looks as if you are either  
trying to install an earlier version of Gromacs without support for  
FFTW-3, or you have manually selected FFTW-2.

Cheers,

Erik

On Apr 3, 2006, at 9:44 AM, raja wrote:

> Dear Mr.Spoel,
>      Thanks for your reply. Yea I checked , the corresponding files  
> are
>      there is "/usr/local/lib". Totally 8 files and
> 1 folder called "pkgconfig". More I also tried to set envirnomental
> variable to CPPFLAGS and LDFLAGS as command before configure but no
> effect.
> May I have to add these environmental variables in my .cshrc file ?.
>
> Please suggest me any other flags to be enabled or disabled to make
> configure to get path of fftw library files.
>
> With thanks!
> B.Nataraj
>
> On Mon, 03 Apr 2006 09:06:22 +0200, "David van der Spoel"
> <spoel at xray.bmc.uu.se> said:
>> raja wrote:
>>> Dear gmxions,
>>> I tried to compile gromacs in SGI IRIX6.5. I followed configuring  
>>> and
>>> installing of fftw, both single and double precision as per gromacs
>>> website. When I tried to configure gromacs...it says.." Cannot  
>>> find any
>>> single precision fftw.h or sfftw.h". I also checked the
>>> "/usr/local/include/". The folder contains 2 files "fftw3.f" and
>>> "fftw3.h". More I had the experince of compiling under cygwin. So  
>>> I did
>>> crosscheck for files under  folder in cygwin (/usr/local/include/ )
>>> found exactly same files there too as "fftw3.f" and "fftw3.h".  
>>> But the
>>> configuration of gromacs worked in cygwin without any error,  
>>> otherhand
>>> why it fails in SGI ? Please help me out !
>> Maybe you explicitly have to add /usr/local/include to the CPPFLAGS
>> environment variable.
>>
>> Do you have the corresponding libraries in /usr/local/lib?
>>
>>>
>>> I also pasted detailed error output while configuring gromacs in  
>>> SGI.
>>> #################################################################### 
>>> ###########
>>> checking how to hardcode library paths into programs... immediate
>>> checking whether stripping libraries is possible... no
>>> checking dynamic linker characteristics... irix6.5 ld.so
>>> checking whether ln -s works... yes
>>> checking for sqrt in -lm... yes
>>> checking for fftw.h... no
>>> checking for sfftw.h... no
>>> configure: error: Cannot find any single precision fftw.h or sfftw.h
>>> Do you have single precision FFTW installed? If you are using  
>>> packages,
>>> note that you also need fftw-devel to compile GROMACS. You can  
>>> find the
>>> software at www.fftw.org, and detailed instructions at  
>>> www.gromacs.org.
>>> If you compiled FFTW yourself:
>>> Note that the default FFTW setup is double precision. Change the  
>>> FFTW
>>> configuration to single with --enable-float. If you want MPI  
>>> support,
>>> use --enable-mpi. It is a good idea to install both single & double.
>>> If your sysadm doesn't want to install it you can do it to a  
>>> location
>>> in your home directory and provide the correct paths in ......
>>> #################################################################### 
>>> ###############
>>>
>>> With thanks !
>>> B.Nataraj
>>
>>
>> -- 
>> David.
>> _____________________________________________________________________ 
>> ___
>> David van der Spoel, PhD, Assoc. Prof., Molecular Biophysics group,
>> Dept. of Cell and Molecular Biology, Uppsala University.
>> Husargatan 3, Box 596,          75124 Uppsala, Sweden
>> phone:  46 18 471 4205          fax: 46 18 511 755
>> spoel at xray.bmc.uu.se    spoel at gromacs.org   http://folding.bmc.uu.se
>> +++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ 
>> +++++
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> -- 
>   raja
>   raja_28 at fastmail.us
>
> -- 
> http://www.fastmail.fm - A fast, anti-spam email service.
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