[Wien] Compilation error of Libxc during installation of WIEN2K 23.2

Peter Blaha peter.blaha at tuwien.ac.at
Mon Mar 25 15:58:44 CET 2024


The libxc site has been moved recently to:

https://libxc.gitlab.io/

After download, you have to compile it. Did you do this ?

Then you need to configure wien2k in siteconfig properly for using libxc.



Am 25.03.2024 um 15:29 schrieb Pranjal Nandi:
> Dear All,
> 
> Hello.
> 
> While compiling the 23.2 version, the link mentioned in the pdf (which 
> contains the codes used for the compilation) to install libxc was NOT 
> working 
> (http://www.tddft.org/programs/libxc/down.php?file=6.2.2/libxc-6.2.2.tar.gz <http://www.tddft.org/programs/libxc/down.php?file=6.2.2/libxc-6.2.2.tar.gz>).
> 
> So I tried to download it from other websites and did the compilation. 
> The only errors I saw are as the following.
> 
> Fatal Error: Cannot open module file ‘xc_f03_lib_m.mod’ for reading at 
> (1): No such file or directory
> 
> compilation terminated.
> 
> make[1]: *** [Makefile:176: libxc_mod.o] Error 1
> 
> make[1]: Leaving directory '/home/pranjal2/WIEN2K/SRC_lapw0'
> 
> make: *** [Makefile:129: para] Error 2
> 
> It would be helpful if you could please guide me with the correct link 
> to the libxc (I think it is because of downloading the libxc from other 
> websites and not TDDFT).
> 
> I also searched the forum regarding the same but I got comments about a 
> very old version. Hence, I decided to ask the community for your 
> assistance.
> 
> Looking forward to your guidance.
> 
> Thank you.
> 
> With warm regards,
> 
> Pranjal
> 
> 
> 
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Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna
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Email: peter.blaha at tuwien.ac.at    WIEN2k: http://www.wien2k.at
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