[gmx-users] Install double precision gromacs on IA64 system

[David van der Spoel]

On Thu, 2005-03-31 at 17:53 +0800, Jian Zou wrote:
> HI all,
> 
> I'm trying to install gromacs-3.2.1 on IA64 system.
> 
> First I install fftw-2.1.5, single & double precision, without/with mpi.
> 
> Then I install gmx-3.2.1, single precision, without/with mpi.
> 
> by now, it goes pretty smooth.
> 
> WHen I try to install gmx-3.2.1 double precision without mpi, by using
> ./configure --prefix=/home/jianzou/program/gromacs --disable-float --program-suffix=_d
> error occurs during "make"
> ...
> autocorr.c: In function `fit_acf':
> autocorr.c:676: Internal error: Segmentation fault.
> Please submit a full bug report.

It looks like a compiler bug.
cd src/tools
gmake CFLAGS=-g autocorr.o
cd ..
cd ..
gmake install


> See <URL:http://bugzilla.redhat.com/bugzilla/> for instructions.
> make[3]: *** [autocorr.lo] Error 1
> make[3]: Leaving directory `/home/jianzou/software/gromacs-3.2.1/src/tools'
> make[2]: *** [all-recursive] Error 1
> make[2]: Leaving directory `/home/jianzou/software/gromacs-3.2.1/src'
> make[1]: *** [all] Error 2
> make[1]: Leaving directory `/home/jianzou/software/gromacs-3.2.1/src'
> make: *** [all-recursive] Error 1
> 
> I've also tried
> ./configure --prefix=/home/jianzou/program/gromacs --disable-float --program-suffix=_d 
>  --without-dmalloc --without-x --without-xml --without-motif-includes --without-motif-libraries 
>  --disable-nice
> the same error occurs.
> 
> Where does this problem come from? How could I overcome it?
> 
> The compiler I use is from gnu.
> 
> 
> Thanks for your advice in advance.
> 
> 
> Regards,
> 
> Jian Zou
> 
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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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