[CPMD-list] is it ever possible to compile with gnu?
Kozin, I (Igor)
i.kozin at dl.ac.uk
Tue Oct 31 17:27:27 CET 2006
> Hi, I have successfully compiled the latest version with
> intel fortran
> compiler, AMD64 with MPI. Everything works well when I set
> up the MPI
> environment by myself.
>
> But... when the MPI environment is set up through the sge queue
> system, -- no luck.
>
> The system administrator says that to get it to run in the
> queue system,
> then CPMD needs to be compiled with gnu, and we are working
> on that at
> the present.
It's shocking to hear that a sys admin can say such nonsense.
What a strange queue system that would be ...
SGE worked fine for us with any compiler.
Just make sure you set all the environment variables in your submission
scripts and all required directories are available on the slave nodes.
ldd cpmd.x might help you to find out what it needs.
> I am 99.9% sure that the answer is NO " I cannot compile with
> gnu " and
> I'm happy to believe that 100%, but I'd like to hear from the
> community
> that no one has compiled parallel with gnu.
gfortran is supposed to work but I have not tried it yet.
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