On Feb 21, 2010, at 10:25 AM, Rodolfo Chua wrote:
> I used openMPI compiled with the GNU (gcc) compiler to run GULP code in parallel.
> But when I try to input "mpirun -np 2 gulp <input>", GULP did not run in two
> processors. Can you give me any suggestion on how to compile GULP code exactly with openMPI.
> Below is the instruction from GULP code manual.
> "If you wish to run the program in parallel using MPI then you will need to alter
> the file "getmachine" accordingly. The usual changes would be to add the "-DMPI"
> option and in some cases change the compiler name (for example tompif77/mpif90)
> or include the MPI libraries in the link stage."
I'm afraid that I don't know the GULP code in particular, but their advice is sound: adding -DMPI sounds like something specific to their code (e.g., to activate the MPI code sections). But using mpif77 / mpif90 as your compiler name in their build process is probably the Right thing to do (e.g., instead of ifort / gfortran / pgf77 / whatever). This should build their executable with Open MPI's support libraries linked in, etc.
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