hi, On Monday 24 April 2006 08:44, Jones de Andrade wrote: > Hi all! > > Ok, I did not acquired to compile gromacs with intel yet, but now I'm also > facing problems with PGI compilers (which also has the extra problem of > needin to be redownloaded soon). > > Just in case someone asks: I'm trying to benchmark gromacs in A64s with > different compilers. ;) > > Well, PGI is dieing here: > . > . > . > /usr/local/pgi/linux86-64/6.0/bin/pgcc -tp=k8-64 -fastsse -Mipa=fast > -Mipa=inline -o grompp topio.o toppush.o topcat.o topshake.o convparm.o > tomorse.o sorting.o splitter.o vsite_parm.o readir.o add_par.o topexcl.o > toputil.o topdirs.o grompp.o -L/usr/local/lib64/fftw/pgi/lib > ../mdlib/.libs/libmd.a -L/usr/X11R6/lib64 -L/usr/X11/lib > ../gmxlib/.libs/libgmx.a -lnsl /usr/local/lib64/fftw/pgi/lib/libfftw3f.a > -lm /usr/X11R6/lib64/libXm.so -lXmu -lSM -lICE -lXext -lXp -lXt -lX11 > --rpath /usr/X11R6/lib64 --rpath /usr/X11R6/lib64 > pgcc-Warning-Unknown switch: --rpath > pgcc-Warning-Unknown switch: --rpath > File with unknown suffix passed to linker: /usr/X11R6/lib64 > File with unknown suffix passed to linker: /usr/X11R6/lib64
if you don`t need x things than let it out (more a workaround): ./configure --without-x --without-xml --without-motif-includes --without-motif-libraries (add your other config issues too) > . > . > . > > I googled this kind of error, but it's only reported to LAM... in that > case, they basically recomend to pass the -Wl flag to the linker. > > Did anybody here faced this problem before? How it was solved? And exactly > how culd I pas that extra flag just to the linker (tried straight the > LDFLAGS, then the ./configure does not find that the compiler can produce > executables... :p )? > > Thanks you all for all the help. Promisse to send the results of the benchs > to here when they are finished. :) > > Thanks again, > > Jones > > On 4/20/06, Erik Lindahl <[EMAIL PROTECTED]> wrote: > > Hi, > > > > On Apr 20, 2006, at 12:25 PM, Ge Sunny wrote: > > > Dear Florian, > > > > > > Thanks for your help. The installation of FFTW3 source code does > > > work by setting the prefix. Then, I have set LDFLAGS and CPPFLAGS > > > to install Gromacs from gromacs-3.3.1-1.src.rpm. However, there is > > > an error when installing Gromacs: > > > > > > $ rpmbuild -rebuild gromacs-3.3.1-1.src.rpm > > > ... ... > > > checking for fftw3.h... yes > > > checking for main in -lfftw3f... no > > > configure: error: Cannot find fftw3f library > > > error: Bad exit status from /var/tmp/rpm-tmp.67043 (%build) > > > > > > RPM build errors: > > > user erikli does not exist - using root > > > group el does not exist - using root > > > user erikli does not exist - using root > > > group el does not exist - using root > > > Bad exit status from /var/tmp/rpm-tmp.67043 (%build) > > > > > > > > > I can only find fftw3.f under ./fftw/include. Don't know what > > > fftw3f is. > > > > The single precision FFTW3 library. You probably didn't include "-- > > enable-float". Go through the detailed instructions at > > > > http://www.gromacs.org/installation/prerequisites.php > > > > Cheers, > > > > Erik > > > > _______________________________________________ > > 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 Greetings, Florian -- ------------------------------------------------------------------------------- Florian Haberl Computer-Chemie-Centrum Universitaet Erlangen/ Nuernberg Naegelsbachstr 25 D-91052 Erlangen Mailto: florian.haberl AT chemie.uni-erlangen.de ------------------------------------------------------------------------------- _______________________________________________ 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
