[gmx-users] Question regarding installing fftw

David spoel at xray.bmc.uu.se
Tue Jun 7 21:01:42 CEST 2005


On Tue, 2005-06-07 at 13:15 -0500, Michael Homa wrote:
> Hi:
> 
> I apologize if this is an incredibly stupid question. I am
> installing Gromacs on our academic computing cluster. According to the
> "Prerequisites" page on the web:
> 
>     YOU NEED FFTW VERSION 2.1.5
> 
> It's very specific about which version, 2.1.5. But, then in the next few
> paragraphs, there are four links to rpm files not for version
> 2.1.5 but for version 2.1.3.2:
> 
>   fftw-2.1.3-2.i386.rpm
>   fftw-devel-2.1.3-2.i386.rpm
>   fftw lammpi-2.1.3-2.i386.rpm
>   fftw-lammpi-devel-2.1.3-2.i386.rpm
> 
> Can I use the the 2.1.3-2 version instead of the 2.1.5? Thanks.
> 
yes, but you do need single precision (lib*sfft* libraries). 
try it.


> Michael Homa
> Operating Systems Support and Database Group
> Academic Computing and Communication Center
> University of Illinois at Chicago
> email:  mhoma at uic.edu
> 
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-- 
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://xray.bmc.uu.se/~spoel
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