[gmx-users] install problem on IBM powerpc AIX 5.3

[liu xin]

Hi, thanks for the time
I asked my administrator, he told me that there was no mpicc installed on
p575, the fore mentioned mpcc was the MPI c compiler, but he is not very
familiar with the AIX OS either, and I will try to explain my problem more
clearly:

a. configure --enable-mpi --prefix=/hpc/gmxmpi
I got a error message: "checking whether the MPI cc command works...
configure: error: Cannot compile and link MPI code with mpc"

b. export MPICC=/usr/bin/mpcc
    configure --enable-mpi --prefix=/hpc/gmxmpi
I got the same error message as (1)

c. configure --enable-mpi=/usr/bin/mpcc --prefix=/hpc/gmxmpc
the configuration ended without error message, but at the end of the
configure output, there was no message telling me that I was compiling with
MPI support which usaslly does when I compile it on our Linux Cluster.
make mdrun
I get the error message: "gcc: unrecognized option '-bmaxdata:0x80000000"
make install-mdrun
grompp -f -c -p -o 6np.tpr -sort -shuffle
mdrun -v -s 6np.tpr -np 6 -proces 6 -shared_memory
then I got the no MPI support error "GROMACS compiled without MPI support -
can't do parallel runs"

(4) I  checked the Makefile and compared it with the one I successfully
compiled on our Linux Cluster, found there was no MPI compiler invoked, for
example, the 89th line "AS = gcc", 95th line "CC = gcc", 96th line "CCAS =
gcc" etc.

in fact, this is the first time we try the AIX OS out, we dont even know
which is the MPI compiler, maybe the mpcc is not the MPI compiler...
I know many of you guys experienced with installation on AIX, any
suggestions ? I am totally a newbie...

On 10/18/07, Erik Lindahl <lindahl at cbr.su.se> wrote:
>
> MPICC is the environment variable (upper case important). It should be set
> to the name of your mpi-enabled C compiler.
> Cheers,
>
> ERik
>
> On Oct 18, 2007, at 4:40 AM, liu xin wrote:
>
> Hi Erick
> you mean export MPICC=mpcc? ok, I will try that
>
>
>
> On 10/18/07, Erik Lindahl <lindahl at cbr.su.se> wrote:
> >
> > Hi,
> >
> > On Oct 17, 2007, at 7:13 PM, liu xin wrote:
> >
> > > Thanks for your quick comment David
> > > but if I tried
> > > ./configure --enable-mpi --prefix=/hpc/gromacsmpi
> > > it will complain about cant find MPI compiler, but I've already
> > > export mpcc=mpicc
> > >
> >
> > Try setting MPICC instead :-)
> >
> > Cheers,
> >
> > Erik
> >
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