[gmx-users] FFTW problem for Gromacs4

Mike Hanby mhanby at uab.edu
Tue Nov 11 15:18:18 CET 2008

Also, I'm not positive, but I believe the switch should be
"--enable-float" not "--enable-floats", so your fftw compile probably
didn't build the float version.

-----Original Message-----
From: gmx-users-bounces at gromacs.org
[mailto:gmx-users-bounces at gromacs.org] On Behalf Of Jussi Lehtola
Sent: Tuesday, November 11, 2008 3:18 AM
To: Discussion list for GROMACS users
Subject: Re: [gmx-users] FFTW problem for Gromacs4

On Tue, 2008-11-11 at 14:32 +0530, Anirban Ghosh wrote:
>  Hi ALL,
> I am trying to install Gromacs4 on Fedora9. I have installed fftw3.1.3
> with the following option:

If you don't want to use any special compiler to compile GROMACS just
use the version included in the distribution:

	# yum -y install gromacs

for the serial version and

	# yum -y install gromacs-mpi

for the parallel version.
Jussi Lehtola, FM, Tohtorikoulutettava
Fysiikan laitos, Helsingin Yliopisto
jussi.lehtola at helsinki.fi, p. 191 50623
Mr. Jussi Lehtola, M. Sc., Doctoral Student
Department of Physics, University of Helsinki, Finland
jussi.lehtola at helsinki.fi

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