[Wien] OpenMP parallelization in lapw0

[Pavel Ondračka]

Dear Wien2k mailing list,

there is some ongoing work to use OpenMP in lapw0 to provide another
level of parallelization in addition to the MPI (which parallelizes
over atoms).

The current version should be almost production ready and was already
tested with some standard stuff (LDA,PBE,sp,etc.) by myself and prof.
Blaha. I'm looking for some experienced Wien2k users for further
testing. If you are willing to help, just email me directly and I'll
provide the patches and further instructions.

The OpenMP version allows for efficient parallelization of small cases
where the MPI version is too heavy hammer (or in general for single
computer installations if you don't want to mess with the MPI). It can
be also quite effective for large clusters in combination with the MPI
(when there are more cores than atoms).

Best regards
Pavel