[gmx-users] configure problem in SGI

[raja]

Dear Mr Erik,

     No, I use fftw-3.0.1 and gromacs-3.0.1 and more I have not selected
     FFTW-2 manually.

With thnaks
B.Nataraj

On Mon, 3 Apr 2006 10:05:53 +0200, "Erik Lindahl" <lindahl at sbc.su.se>
said:
> 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
> >
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-- 
  raja
  raja_28 at fastmail.us

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