[Wien] Installation question

[Laurence Marks]

Several questions as a start:
a) Have you tried lapw0_mpi ? This does not use any scalapack, just
mpi operation splitting. I would verify that this works first.
b) What version of mpi -- there are many. You need to ensure that you
have the right commands in $WIENROOT/parallel_options for your flavor
of mpi.

2012/1/30 David Tompsett <dat36 at cam.ac.uk>:
> Dear All,
>
> I have recently attempted to recompile Wien2k version 11 and am having some
> problems with the MPI parallel binary lapw1_mpi. I used a GNU reference
> implementation of Scalapack and libsci. Unfortunately my cluster does not
> have inter libraries.
>
> The compile completes with no errors, but upon running lapw1_mpi does not
> print any eigenvalues, yet throws no errors:
> EIGENVALUES ARE:
>
>             0 EIGENVALUES BELOW THE ENERGY  -10.00000
>        ********************************************************
>
> There is simply nothing printed in case.output1up or case.energyup where the
> eigenvalues should be. Has anyone seen such a problem before? Also, which
> part of the source code should print these eigenvalues? I would like to
> check if the problem is with IO by trying to flush the stream.
>
> Many thanks,
> David Tompsett.
>
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-- 
Professor Laurence Marks
Department of Materials Science and Engineering
Northwestern University
www.numis.northwestern.edu 1-847-491-3996
"Research is to see what everybody else has seen, and to think what
nobody else has thought"
Albert Szent-Gyorgi