On Wed, Nov 19, 2008 at 5:57 AM, Mark Abraham <[EMAIL PROTECTED]> wrote: > Suman Chakrabarty wrote: > >> Now when I try to follow his script posted at >> http://www.gromacs.org/pipermail/gmx-users/2008-November/037973.html , >> I find that it does not work for me. Error is: >> >> checking for mpxlc... mpcc -q64 -compiler xlc_r >> checking whether the MPI cc command works... configure: error: Cannot >> compile and link MPI code with mpcc -q64 -compiler xlc_r > > xlc_r is a compiler for multithreaded applications, which GROMACS isn't > (despite the configure flag). Just use mpcc and don't make trouble.
Before encountering the script in the cited post, I was doing just that. My configure script was: export CPPFLAGS=-I/home/phd/02/csdsuman/FFTW/FFTW320/include export LDFLAGS=-L/home/phd/02/csdsuman/FFTW/FFTW320/lib builddir=/home/hpcscratch/csdsuman/Gromacs/GMX402 ./configure --prefix=${builddir} --program-suffix="_mpi" --without-x --disable-largefile --enable-mpi But it ended with the aforesaid problem: checking for int... yes checking size of int... configure: error: cannot compute sizeof (int) But as you suggested, may be I should go back to our cluster admin, though it is excruciatingly difficult to find him at the right place at the right time! :( Regards, Suman. > >> Is there any way I can find out what are the proper flags to be used >> for the AIX compilers without consulting the cluster admin?! > > I'd say this is the sort of question that they were for, especially if > they're being paid to do it and we aren't. > > Mark _______________________________________________ gmx-users mailing list gmx-users@gromacs.org http://www.gromacs.org/mailman/listinfo/gmx-users Please search the archive at http://www.gromacs.org/search before posting! 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