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
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