[Wien] Compile WIEN2K_10 in parallel

[bothina hamad]

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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