Hi, Volker I have installed Gromacs 3.3.1 on a couple of IBM power computers (i.e. P655+). You need to install fftw3, and not fftw 2.15. fftw 2.15 didn't seem to work with AIX 5.2.
Here are the instructions: Installing fftw3 setenv MPICC 'mpcc_r -q64' setenv CC 'xlc_r -q64' setenv F77 'xlf_r -q64' setenv OBJECT_MODE 64 setenv LDFLAGS setenv CPPFLAGS setenv FFLAGS '-O3 -qarch=pwr4 -qtune=pwr4 -qmaxmem=-1 -qstrict' setenv CFLAGS '-O3 -qarch=pwr4 -qtune=pwr4 -qmaxmem=-1 -qstrict' ./configure --prefix=/rmount/users09/washu/aroberts/fftw3 --enable-float make make install Installing Gromacs 3.3.1 setenv MPICC 'mpcc_r -q64' setenv CC 'xlc_r -q64' setenv F77 'xlf_r -q64' setenv OBJECT_MODE 64 setenv FFLAGS '-O3 -qarch=pwr4 -qtune=pwr4 -qmaxmem=-1 -qstrict' setenv CFLAGS '-O3 -qarch=pwr4 -qtune=pwr4 -qmaxmem=-1 -qstrict -I/rmount/users09/washu/aroberts/fftw3/gromacs-3.3.1/include -I/usr/include' setenv LDFLAGS '-L/rmount/users09/washu/aroberts/fftw3/lib' setenv CPPFLAGS '-I/rmount/users09/washu/aroberts/fftw3/include' poe "./configure --enable-mpi --disable-vectorized-sqrt --program-suffix="_mpi" --prefix=/rmount/users09/washu/aroberts/gromacs_3.3.1s --exec-prefix=/rmount/users09/washu/aroberts/gromacs_3.3.1s" You may need to adjust this for your particular computer configuration, but I have gotten this to essentially work on two IBM Power P655+. I hope this helps. Best wishes, Art Roberts Department of Medicinal Chemistry University of Washington Seattle, WA 98195 --- Volker Knecht <[EMAIL PROTECTED]> wrote: > Dear all, > > I have a problem with the configuration of gmx3.3 on > an IBM power > computer which was reported in here in the mailing > list previously by > Xie Yinghong. When trying to configure a parallel > version of gmx on an > IBM power computer with operating system AIX, I > recieve the error > > "cannot compute sizeof (int)". > > I have contacted Xie Yinghong who told me that this > problem only occurs > with the parallel and not with the sequential > version. He could not > solve the problem, but, rather, uses gmx3.2 now for > which the problem > does not occur. This is, however, no option for me, > as I want to use a > feature not implemented in gmx3.2 yet. > > Does anyone have any idea how to solve this problem? > > Your help would be greatly appreciated. > > Kind regards, > Volker > > -- > Dr. Volker Knecht > Theory Department > Max Planck Institute of Colloids and Interfaces > Research Campus Golm > 14424 Potsdam, Germany > > Phone: +49-331-567-9610 > Fax: +49-331-567-9612 > > _______________________________________________ > gmx-users mailing list gmx-users@gromacs.org > http://www.gromacs.org/mailman/listinfo/gmx-users > Please don't post (un)subscribe requests to the > list. Use the > www interface or send it to > [EMAIL PROTECTED] > Can't post? Read > http://www.gromacs.org/mailing_lists/users.php > _______________________________________________ gmx-users mailing list gmx-users@gromacs.org http://www.gromacs.org/mailman/listinfo/gmx-users Please don't post (un)subscribe requests to the list. Use the www interface or send it to [EMAIL PROTECTED] Can't post? Read http://www.gromacs.org/mailing_lists/users.php