[Wien] Compile WIEN2K_10 in parallel

[Laurence Marks]

Normally the "contact developers" means something severe, but I think
in this case it may be simple. For openmpi I believe you need to use
-lmkl_blacs_openmpi_lp64

N.B., for the sgimpi variant a similar change is needed.

2010/6/24 bothina hamad <both_hamad at yahoo.com>:
> Dear WIEN users,
>                We are facing problems in parallel compilations, which makes the parallel version not working properly.
>
> The system is 3 nodes (1 head + 2x compute), running Centos5.3 x86_64, configured as a cluster.
> passwordless ssh for access
> NFS mounted /opt (where wien2k is installed) and /home
> (where test cases are held for users) partitions
>
> System uses
>
> Intel 11.1 compilers + mkl
>
> Openmpi is compiled with intel
> compiler suite, has been tested and works
> FFTW 2.1.5 is compiled with intel compiler suite and --enable-mpi option
> Wien2k successfully
> compiled with only some warnings about vecpratt and vecprattc (but these also compiled).
>
> As the errors in the dayfile say 'contact developers'
> see the dayfile attached for a simple bulk Fe structure.
>
> build-options:  contains all the options for the build, R_LIBS and RP_LIBS, etc...
>
>
>
> Your recommendations are highly appreciated
> Bothina
>
>
>
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>
>



-- 
Laurence Marks
Department of Materials Science and Engineering
MSE Rm 2036 Cook Hall
2220 N Campus Drive
Northwestern University
Evanston, IL 60208, USA
Tel: (847) 491-3996 Fax: (847) 491-7820
email: L-marks at northwestern dot edu
Web: www.numis.northwestern.edu
Chair, Commission on Electron Crystallography of IUCR
www.numis.northwestern.edu/
Electron crystallography is the branch of science that uses electron
scattering and imaging to study the structure of matter.