[Pw_forum] still execution problem when compiling with openmp and ifort + flags for mpif90

[Paolo Giannozzi]

On Thu, 2013-01-10 at 12:12 +0200, eitan eidelstein wrote:

> 1. I checked your assumption that my intel compiler is "free version"
> and the answer is NO.
>    This is licensed (payed) "ifort version 13.0.1".
>    So this is strange.... how come the --enable-openmp kills the
> examples?

in software, the conventional wisdom "you get what you pay for"
does not always apply. Anyway: if you paid for it, you have the
right to complain with Intel. This is more or less all you get 
from commercial software, by the way. Since complaining is not
guaranteed to produce results, you may want to figure out where 
the problem comes from (something you haven't yet done and that
NOBODY CAN DO FOR YOU).

So: first of all, "make clean", "./configure --disable-parallel".
Does it work? if it fails, where and how it fails EXACTLY? If it
is a run-time error, you have to LOOK INSIDE OUTPUT FILES, or 
even better, MANUALLY RUN THE CODE: 
  "/directory/where/qe/is/pw.x -inp /path/to/input-file"
If a symbol is missing, you should look at the documentation 
of the Intel compiler, MKL libraries, or (best option in most
case) search the web for similar problems. 

Then:  "make clean", "./configure --enable-openmp". You may want 
to keep "--disable-parallel" as a first step. As above. 

Then:  "make clean", "./configure --enable-parallel --enable-openmp".
As above. You may want to figure out which mpi you use: if you use
the intel one, you may need "./configure --with-scalapack=intel"

>     How can I add flags to the MPIF90?

I think it may depend upon the specific version of mpif90 you are using.
For openmpi there should be an environment variable OMPI_F90 or
something like this that you set to the compiler you want.

P.
-- 
Paolo Giannozzi, IOM-Democritos and University of Udine, Italy