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 <[EMAIL PROTECTED]> 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 <[EMAIL PROTECTED]> 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 > > > > _______________________________________________ > > 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 > > > > _______________________________________________ > 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 > > > > _______________________________________________ > 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 >
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