Ilyas Yildirim wrote:
> Dear All,
>
> I was using AMBER in serial version. While I was trying to install the
> parallel version I had a lot of problem. My comp. is a linux box (SUSE
> 9.1) with a p4 CPU. I followed almost the same procedure described in
>
> http://amber.scripps.edu/cluster_info/#compile_a8
>
> Basically, I uninstalled the MPICH libraries using YAST. Then, I
> downloaded the new mpich libraries from MPICH Official webpage at
>
> http://www-unix.mcs.anl.gov/mpi/mpich/
>
> I installed mpich libraries following the procedure described in the first
> link. But it misses one simple thing.
>
> export CC=gcc
> export FC=ifort
> ./configure --prefix=/usr/local/mpich-1.2.5.2_gcc -cc=$CC -fc=$FC
> make
> make install
>
> (I had the gcc and ifort compilers. So, change them to the compilers u are
> using) Then compile the serial version first. And then compile the
> parallel version. I finally compiled the parallel version, namely. Just
> for those who have/will have similar problems I had while installing the
> parallel version of AMBER.
>
> Best,
>
Just one though about your compilation option (actually you compiler
choice) :
I think you'd better use either only gcc/g77 for CC and FC of icc/ifort
to keep consistency.
I suspect you could have troubles mixing both different compilers.
It is just a recommandation though.
Stéphane Teletchéa, close to one month for his PhD ;-)
--
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Received on Thu Aug 18 2005 - 00:53:01 PDT
