[Wien] problem in wien2k installation

[Peter Blaha]

> I think the problem is not in w2web. Because I got the same error message while running in terminal also.
> [root at localhost TiC]$ run_lapw -cc 0.0001 -NI
> /home/james/wien2k/lapw0: error while loading shared libraries: libmkl_intel_lp64.so: cannot open shared object file: No such file or directory
>  > stop error
> Would you please tell me the necessary files that are required for wien2k to run properly. Is it a problem in glibc?

It is rather obvious which library you need: libmkl_intel_lp64.so

This file should be in a directory which you have in your LD_LIBRARY_PATH

Is it there ???    Is the library path set ???    (echo $LD_LIBRARY_PATH)
do a ls -als of all directories in this variable.

Alternatively, recompile WIen2k (siteconfig) with a linker-option  -static-intel
It should the statically link the necessary libraries.

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Peter Blaha
Inst. Materials Chemistry, TU Vienna
Getreidemarkt 9, A-1060 Vienna, Austria
Tel: +43-1-5880115671
Fax: +43-1-5880115698
email: pblaha at theochem.tuwien.ac.at
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