[gmx-users] Compiling GROMACS on IBM-AIX(power4)

David van der Spoel spoel at xray.bmc.uu.se
Fri Nov 21 11:05:01 CET 2003

On Fri, 2003-11-21 at 23:01, Mr.Sridhar wrote:
> Dear GMX users,
> I am trying to compile GROMACS in IBM AIX power4 cluster from the source
> code. I have installed fftw from source code. the installation also needs
> fftw-devel files. I have tried to get the source code of fftw-devel from
> fftw site but the site is not reachable. I have tried other sites but
> could not find it.
> Anybody having this could please send me this source code for which I
> shall be very grateful.
> And I request suggessions from you on compiling GROMACS on IBM AIX power4
> cluster.
I recall this problem has come up before.
FFTW will by default compile for power2 processors, while GROMACS will
use power4. This causes problems.. You can force FFTW to use power4 by
setting the CFLAGS environment variable (optimization options) to use
power4, then configure and compile fftw again. 

> Thanking you,
> sridhar.
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David van der Spoel, PhD, Assist. 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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