[gmx-users] Gromacs installation
David van der Spoel
spoel at xray.bmc.uu.se
Thu Jun 9 13:34:40 CEST 2005
On Thu, 2005-06-09 at 13:10 +0200, Xavier wrote:
> Dear gmx-users,
> I have some problems in the installation of gromacs, and particularly with
> FFWT. I use a HP workstation running under Linux RedHat Enterprise WS3
> I installed 2 RPM files for FFTW (fftw-2.1.3-2.i386.rpm and
> I checked that files are located in /usr/local/include and libraries in
> When I type ./configure, I obtain the following lines:
> checking for sqrt in -lm... yes
> checking for sfftw.h... yes
> checking for main in -lsfftw... no
> configure: error: Can't find a library to match the sfftw header
> If I type the following commands before running ./configure:
> > export CPPFLAGS=-I/usr/local/include
> > export LDFLAGS=-L/usr/local/lib
> ... I always obtain the same error: "Can't find a library to match the sfftw
> header" Thanks in advance for your help.
If you have a 64 bit OS then you'll have to install FFTW yourself
(please uninstall the RPMs first).
> Xavier GALLET
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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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