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,
--
Ilyas Yildirim
---------------------------------------------------------------
- Department of Chemisty - -
- University of Rochester - -
- Hutchison Hall, # B10 - -
- Rochester, NY 14627-0216 - Ph.:(585) 275 67 66 (Office) -
- http://www.pas.rochester.edu/~yildirim/ -
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Received on Wed Aug 17 2005 - 02:53:01 PDT
