[gmx-users] FFTW libraries

[Dr Seth Carlton OLSEN]

Hi GROMACS users,

Thank you, Choon-Peng, for explaining the difference between the 's' and 'd' libraries for FFTW.  I have followed your suggestions and those on the GROMACS site using:
configure --enable-float --enable-type-prefix
make
make install

followed by the double-precision installation (i.e. no enable-float option)

This seems to have put the following files in my /usr/local/lib directory:
libdfftw.a   libdrfftw.a   libsfftw.a   libsrfftw.a   
libdfftw.la  libdrfftw.la  libsfftw.la  libsrfftw.la

However, I cannot find libsfftw.so.2 nor libsrfftw.so.2 in /usr/local/lib or /usr/lib , and the command
find / -name *fftw*so.2 -print
yields no results.  Is it possible that when 'making' the program, these libraries were skipped due to the prescence of more recent libraries without the type prefixes enabled?  

Cheers,

Seth



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Dr Seth Olsen, PhD
Postdoctoral Fellow, Computational Systems Biolgy Group
Centre for Computational Molecular Science
Chemistry Building,
The University of Queensland
Qld 4072, Brisbane, Australia

tel (617) 33653732
fax (617) 33654623
email: s.olsen1 at uq.edu.au
Web: www.ccms.uq.edu.au 

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----- Original Message -----
From: Chng Choon Peng <cpchng at bii.a-star.edu.sg>
Date: Tuesday, June 22, 2004 2:09 pm
Subject: Re: [gmx-users] FFTW libraries

> Hi Seth,
> 
>  If I remember correctly, libfftw is for complex to complex 
> transforms and
> librfftw is for real to complex (forward FFT).
> The 's' is for single-precision, which is the default installation
> mode for Gromacs on SSE/2 machines.
> So, your 'hack' works if your installed FFTw is in single-precision 
> mode,which may not be so.
> 
> When compiling FFTw from source, you can specify the flag
> "--enable-type-prefix" and you'll get libsfftw and libdfftw for 
> single- and
> double-precision transforms.
> Probably you can find RPMs for each version, with the prefix.
> 
> 
> cheers,
> Choon-Peng
> -- 
> Mr. Choon-Peng CHNG
> Research Associate
> Computational Biology Group
> BioInformatics Institute, BMSI, A*STAR
> 30 Biopolis Street
> #07-01 Matrix Building
> Singapore 138671
> Tel (O): +65 64788301 Fax (O): +65 64789047
> www.bii.a-star.edu.sg/~cpchng
> 
> 
> On 6/22/04 11:50 AM, "Dr Seth Carlton OLSEN" <s.olsen1 at uq.edu.au> 
> wrote:
> > Hi Gromacs Users,
> > I am trying to install GROMACS on in Intel Pentium 4 machine 
> running Fedora
> > Core 2 Linux.  When I unpack the rpm, I get the following 
> complaint regarding
> > FFTW dependencies:
> > 
> > error: Failed dependencies:
> >       libsfftw.so.2 is needed by gromacs-3.2.1-1
> >       libsrfftw.so.2 is needed by gromacs-3.2.1-1
> > 
> > Upon checking in /usr/lib, I find the following FFTW related 
> libraries:> 
> > /usr/lib/libfftw.so.2              /usr/lib/librfftw.so.2
> > /usr/lib/libfftw.so.2.0.7          /usr/lib/librfftw.so.2.0.7
> > /usr/lib/libfftw_threads.so.2      /usr/lib/librfftw_threads.so.2
> > /usr/lib/libfftw_threads.so.2.0.7  
> /usr/lib/librfftw_threads.so.2.0.7> 
> > I'm not sure what to do at this point (new Fedora user), but my 
> instinct is to
> > make the following links in /usr/lib:
> > 
> > /usr/lib/libfftw.so.2 --> libsfftw.so.2
> > /usr/lib/librfftw.so.2 --> libsrfftw.so.2
> > 
> > I expect I will try this, and post to the list whether or not it 
> works.> However, if anyone who reads this knows another, cleaner 
> way of circumventing
> > the problem, I would appreciate the knowledge.  Thanks!
> > 
> > Cheers,
> > Seth
> > 
> > 
> > 
> > ccmsccmsccmsccmsccmsccmsccmsccmsccmsccmsccmsccmsccmsccmsccmsccms
> > 
> > Dr Seth Olsen, PhD
> > Postdoctoral Fellow, Computational Systems Biolgy Group
> > Centre for Computational Molecular Science
> > Chemistry Building,
> > The University of Queensland
> > Qld 4072, Brisbane, Australia
> > 
> > tel (617) 33653732
> > fax (617) 33654623
> > email: s.olsen1 at uq.edu.au
> > Web: www.ccms.uq.edu.au
> > 
> > ccmsccmsccmsccmsccmsccmsccmsccmsccmsccmsccmsccmsccmsccmsccmsccms
> > 
> > 
> > 
> > 
> > 
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