[Pw_forum] mpi

[Gerardo Ballabio]

On Thu, 2004-10-28 at 16:54, Mahmoud Payami wrote:
> I tried to do the compiling job with mpich-2.0.711(which is compiled
> by ifc8.1. After installing mpi, I used ./configure
> for espresso which could detect the parallel environment and "make
> all" worked well. However, trying to run pw.x on single or multi
> processors, I get unknown error.
> Could you please let me know which "mpi" ( from where) and "ifc" give
> the desired results.

ESPRESSO should work with any version of MPI and Intel compiler. I
haven't tried mpich 2 personally, but I have tried Intel compiler
version 8.1 and it definitely works.

To see if your problem is actually MPI-related, try disabling MPI with
"configure --disable-parallel", which produces serial versions of the
executables. Do these run or not? If not, do you get the same error or a
different one?

Also, are you sure that your input file is correct? The ESPRESSO
distribution contains a large number of examples. Have you tried to run
them? (Instructions are in the examples/README file.)

Finally, please be more specific about what kind of error you are
obtaining. It might be a known issue. (Have you read the
"troubleshooting" section of the manual?)

Gerardo