[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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