[Wien] Additional Library Questions

[Laurence Marks]

You have not provided enough information for anyone to do more than make a
wild guess!

If there are issues with libraries, that is an issue with either or both
what you have in LD_LIBRARY_PATH and the modules. There is no magic about
Wien2k that is needed beyond standard -- which does not answer anything.

If it is library, please provide the error message and/or use ldd to look
at the executables.

On Thu, May 20, 2021 at 11:18 AM Xudong Huai <xhuai at g.clemson.edu> wrote:

> Dear Wien2k developers,
>
> I am running wien2k version 19.1 on a supercomputer with operating system
> Cent OS8, fortran compiler gfortran (we also have ifort).
>
> The purpose of my calculations is to use the TiC example to check if
> WIEN2k is installed, compiled, and configured properly.
>
> While running the TiC example, there are two things happened.
> First, we need to load modules manually ("module load
> fftw/3.3.8-gcc/8.3.1-nompi" and "module load openblas/0.3.10-gcc/8.3.1")
> otherwise we cannot finish "init_lapw".
> Second, after we finish "init_lapw" error appears when running LAPW2.
>
> We think that the problem should be related to improper installation, and
> we found that additional libraries are required. So we would like to ask
> what is the proper additional library for our system?
>
> Thank you for reading my question, any suggestion is appreciated,
> Xudong Huai
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-- 
Professor Laurence Marks
Department of Materials Science and Engineering
Northwestern University
www.numis.northwestern.edu
"Research is to see what everybody else has seen, and to think what nobody
else has thought" Albert Szent-Györgyi
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