[Pw_forum] libxc with QE

[plgong]

Dear Eirc， 
     Thanks again. Can you tell me the command of building QE using the library?
Whether  is it like "--with-internal-blas = "? 
      

truely

 P. L. Gong
 
 Addr: Institute of Solid State Physics, Chinese Academy of 
 Sciences, Hefei, Anhui 230031, China


> -----原始邮件-----
> 发件人:"Éric Germaneau" <germaneau at sjtu.edu.cn>
> 发送时间:2015年4月3日 星期五
> 收件人:"PWSCF Forum" <pw_forum at pwscf.org>
> 抄送:
> 主题:Re: [Pw_forum] libxc with QE
> 
> Libxc is a library which is called by QE.
> you don't need to touch the f90 files.
> just install Libxc, then build QE using the library.
> 
> 
> On 04/03/2015 08:10 AM, plgong wrote:
> 
> > Dear Eirc,
> >      Thanks for your quick reply. I found the link you provided, but I do not find that libxc would surport
> >  QE. However, I see libxc.f90 in QE5.1.2/Modules/libxc.f90. Do you know how to link the libxc to QE?
> >  Please help me at a time most convenient to you.
> > 
> >  Best wishes
> >  
> >  P. L. Gong
> > 
> >  Addr: Institute of Solid State Physics, Chinese Academy of 
> >  Sciences, Hefei, Anhui 230031, China
> >  
> > 
> > 
> > 
> > 
> > > -----原始邮件-----
> > > 发件人:"Éric Germaneau" <germaneau at sjtu.edu.cn>
> > > 发送时间:2015年4月3日 星期五
> > > 收件人:"PWSCF Forum" <pw_forum at pwscf.org>
> > > 抄送:
> > > 主题:Re: [Pw_forum] libxc with QE
> > > 
> > > Gong,
> > > 
> > > As the message clearly says you need Libxc to be installed.
> > > If you had googled it you would have found the following link:
> > > 
> > > 
> > > > http://www.tddft.org/programs/octopus/wiki/index.php/Libxc
> > > > Éric.
> > > > On 04/02/2015 07:32 PM, plgong wrote:
> > > 
> > > 
> > > > Dear professor, 
> > > >    Recenetly, I found that tb09 (meta-GGA) can ue used in the version of QE 5.1.2, but when I run an 
> > > > example, it reported that, 
> > > > "    Error in routine tb09 (1):
> > > >      need libxc
> > > >  %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
> > > > 
> > > >      stopping ...
> > > > 
> > > >  %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
> > > >      Error in routine tb09 (1):
> > > >      need libxc
> > > > "
> > > > I have used "input_dft='tb09' in my inputfile.
> > > > 
> > > > I have no idea about libxc, Do I need to install it? How can I do?
> > > > pPlease help me at a time most convenient to you.
> > > > 
> > > > Best wishes
> > > > 
> > > > P. L. Gong
> > > > 
> > > > Addr: Institute of Solid State Physics, Chinese Academy of 
> > > > Sciences, Hefei, Anhui 230031, China
> > > > 
> > > > 
> > > > --
> > > > 
> > > > ====================================================
> > > > Addr: Institute of Solid State Physics, Chinese Academy of 
> > > > Sciences, Hefei, Anhui 230031, China
> > > > Tel: +86-551-65591591(office), 18756086113(cell phone)
> > > > Email: plgong at theory.issp.ac.cn
> > > > ========================================================================
> > > > 
> > > > 
> > > > 
> > > > 
> > > > 
> > > > _______________________________________________
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> > > > -- 
> > > Éric Germaneau (艾海克), Specialist
> > > Center for High Performance Computing
> > > Shanghai Jiao Tong University
> > > Room 205 Network Center, 800 Dongchuan Road, Shanghai 200240 China
> > > M:germaneau at sjtu.edu.cnP:+86-136-4161-6480 W:http://hpc.sjtu.edu.cn
> > > --
> > 
> > ====================================================
> > Addr: Institute of Solid State Physics, Chinese Academy of 
> > Sciences, Hefei, Anhui 230031, China
> > Tel: +86-551-65591591(office), 18756086113(cell phone)
> > Email: plgong at theory.issp.ac.cn
> > ========================================================================
> > 
> > 
> > 
> > 
> > 
> > _______________________________________________
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> > Pw_forum at pwscf.org
> > http://pwscf.org/mailman/listinfo/pw_forum
> 
> -- 
> Éric Germaneau (艾海克), Specialist
> Center for High Performance Computing
> Shanghai Jiao Tong University
> Room 205 Network Center, 800 Dongchuan Road, Shanghai 200240 China
> M:germaneau at sjtu.edu.cnP:+86-136-4161-6480 W:http://hpc.sjtu.edu.cn

--

====================================================
Addr: Institute of Solid State Physics, Chinese Academy of 
Sciences, Hefei, Anhui 230031, China
Tel: +86-551-65591591(office), 18756086113(cell phone)
Email: plgong at theory.issp.ac.cn
========================================================================