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

[Jian Zou]

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.
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