[Wien] WIEN2k executables dependencies

Peter Blaha pblaha at theochem.tuwien.ac.at
Tue Aug 28 15:34:33 CEST 2018


I see. Probably not your fault.

I cannot test the static executables myself, because I do not have a 
machine WITHOUT ifort.

I was compiling with -Bstatic, but it seems it does not link this Intel 
threading library statically.

I recompiled nn without multi-threading and copy the executable into

http://wien2k.at/reg_user/wien2k_download/files/nn

Please download it, copy it into your $WIENROOT (make sure it has "x" 
permissions") and try it out.

If it works, I'll make a new set of executables.

Regards

On 08/28/2018 03:20 PM, Jose Carcelén wrote:
> Dear list members,
> 
> I am running Wien version 18.2 on a machine of type Linux with operating
> system Centos 7. I have installed the WIEN2k_18.2_executables.tar.gz, so
> I thought no compilation is needed and it hasn't Intel compiler
> dependencies, but when I run init_lapw and use a new scheme (N) the
> following error is shown:
> 
> /mnt/hpcsoftware/WIEN2k/wien2k_18.2/nn: error while loading shared
> libraries: libiomp5.so: cannot open shared object file: No such file or
> directory
> 
> The libiomp5.so library is not included in the Wien sources and it seems
> it belongs to the Intel Parallel Studio XE Composer, so these
> executables can't be used without this software, or I made a mistake at
> some point.
> 
> Regards and thanks in advance,
> Jose Carcelén
> 
> 
> 
> 
> 
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-- 

                                       P.Blaha
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Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna
Phone: +43-1-58801-165300             FAX: +43-1-58801-165982
Email: blaha at theochem.tuwien.ac.at    WIEN2k: http://www.wien2k.at
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