[Wien] Intel compiler/libraries

[Torsten Andersen]

Dear Mr. Harris,

it does not look like a compiler problem to me.

Maybe you should use runsp_lapw instead of run_lapw?

Or, if it should not be a complex calculation, copy tsts.in1c to 
tsts.in1... but it used to be the other way around:-)

Best regards,
Torsten Andersen.

Kris Harris wrote:
> Hello, unfortunately I need some assistance compiling Wien. I've managed 
> to get it running on athlons (with ATLAS) but I've not had any luck 
> getting the thing running on intel processors with the mkl libraries.
> 
> I compiled with ifc/icc 7.1 and mkl 6.1 under redhat 9 (with the patch 
> for glibc-handshake from Wien FAQ). The compile options used are:
> 
>    Current settings:
>      O   Compiler options:        -FR -mp -w
>      L   Linker Flags:            -L../SRC_lib -L/opt/intel/mkl61/lib/32 
> -Vaxlib -static-libcxa
>      P   Preprocessor flags       '-DParallel'
>      R   R_LIB (LAPACK+BLAS):     -lmkl_lapack -lmkl_ia32 -lguide -lpthread
> 
> (It complains about pthread calls if I try and compile all static)
> 
> 
> and under this system, it compiles without any errors (if I grep all 
> compile.msg for errors, the only ones are in SRC_lib but I'm not linking 
> to these so I don't think this is a problem, I think they are just 
> remnants from old compile runs)
> 
> So it seems to compile without problems, but when I try to run the 
> benchmark test case, I get FORTRAN STOP LAPW1 - Error
> and in the file lapw.error, I see
>  'INILPW' - can't open unit:  5
>  'INILPW' -        filename: tsts.in1c
>  'INILPW' -          status: old          form: formatted
>  'LAPW1' - INILPW aborted unsuccessfully.
> 
> I'm not sure at what point it fails to try and debug. Any comments? I'd 
> really appreciate some help with this.
> 
> Thanks in advance,
>         Kris Harris
> 
> 
> 
> kjharris at sdf.lonestar.org
> SDF Public Access UNIX System - http://sdf.lonestar.org
> 
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> 

-- 
Dr. Torsten Andersen        TA-web: http://deep.at/myspace/
AG Hübner, Department of Physics, Kaiserslautern University
http://cmt.physik.uni-kl.de    http://www.physik.uni-kl.de/

Symposium on Excited-state properties of solids, Mannheim 2005:
See: http://cmt.physik.uni-kl.de/Circular1.pdf