Hi all!<br>
<br>
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).<br>
<br>
Just in case someone asks: I'm trying to benchmark gromacs in A64s with different compilers. ;)<br>
<br>
Well, PGI is dieing here:<br>
.<br>
.<br>
.<br>
/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<br>
pgcc-Warning-Unknown switch: --rpath<br>
pgcc-Warning-Unknown switch: --rpath<br>
File with unknown suffix passed to linker: /usr/X11R6/lib64<br>
File with unknown suffix passed to linker: /usr/X11R6/lib64<br>
.<br>
.<br>
.<br>
<br>
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.<br>
<br>
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 )?<br>
<br>
Thanks you all for all the help. Promisse to send the results of the benchs to here when they are finished. :)<br>
<br>
Thanks again,<br>
<br>
Jones<br><br><div><span class="gmail_quote">On 4/20/06, <b class="gmail_sendername">Erik Lindahl</b> <<a href="mailto:lindahl@sbc.su.se">lindahl@sbc.su.se</a>> wrote:</span><blockquote class="gmail_quote" style="border-left: 1px solid rgb(204, 204, 204); margin: 0pt 0pt 0pt 0.8ex; padding-left: 1ex;">
Hi,<br><br>On Apr 20, 2006, at 12:25 PM, Ge Sunny wrote:<br><br>> Dear Florian,<br>><br>> Thanks for your help. The installation of FFTW3 source code does<br>> work by setting the prefix. Then, I have set LDFLAGS and CPPFLAGS
<br>> to install Gromacs from gromacs-3.3.1-1.src.rpm. However, there is<br>> an error when installing Gromacs:<br>><br>> $ rpmbuild -rebuild gromacs-3.3.1-1.src.rpm<br>> ... ...<br>> checking for fftw3.h..
. yes<br>> checking for main in -lfftw3f... no<br>> configure: error: Cannot find fftw3f library<br>> error: Bad exit status from /var/tmp/rpm-tmp.67043 (%build)<br>><br>> RPM build errors:<br>> user erikli does not exist - using root
<br>> group el does not exist - using root<br>> user erikli does not exist - using root<br>> group el does not exist - using root<br>> Bad exit status from /var/tmp/rpm-tmp.67043 (%build)<br>><br>
><br>> I can only find fftw3.f under ./fftw/include. Don't know what<br>> fftw3f is.<br><br>The single precision FFTW3 library. You probably didn't include "--<br>enable-float". Go through the detailed instructions at
<br><br><a href="http://www.gromacs.org/installation/prerequisites.php">http://www.gromacs.org/installation/prerequisites.php</a><br><br>Cheers,<br><br>Erik<br><br>_______________________________________________<br>gmx-users mailing list
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