ESPRESSO users ForumCc: Quantum ESPRESSO users ForumSubject: Re: [QE-users] QE 6.7 with libxc 5.1.3 showing error dft method scan is unrecognised. > Thank you for the reply. Could you please confirm whether I am using correct blas lapack and scalapack libraries? I would rather you follow my h
> Thank you for the reply. Could you please confirm whether I am using correct
> blas lapack and scalapack libraries?
I would rather you follow my hint first.
regards
--
Lorenzo Paulatto - Paris___
Quantum ESPRESSO is supported by MaX (www.max-centre.e
reason scan is unrecognized and how to proceed further.
>
> Thank you.
>
> Sincerely,
>
> Raj Maddipati
>
>
>
> *From: *Fabrizio Ferrari
> *Sent: *23 April 2021 01:46
> *To: *Quantum ESPRESSO users Forum
> *Subject: *Re: [QE-users] QE 6.7 with libxc 5.1.3 showin
users ForumSubject: Re: [QE-users] QE 6.7 with libxc 5.1.3 showing error dft method scan is unrecognised. If "make pw" fails, you have not compiled pw.x, i.e. the pw.x you are using is not the one you think you are compiling. Find out which it is with the command "which pw.x"
> *To: *Quantum ESPRESSO users Forum
> *Subject: *Re: [QE-users] QE 6.7 with libxc 5.1.3 showing error dft
> method scan is unrecognised.
>
>
>
> Hello,
>
> compatibility with the recent libxc version 5.1.3 still hasn't been fully
> checked in QE, however, I manage
On Fri, Apr 23, 2021 at 5:29 AM Raj wrote:
> I took BLAS SCALAPACK LAPACK and FFT LIBS directory link from intel
> advisor website.
>
why? take what "configure" says
--
Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche,
Univ. Udine, via delle Scienze 206, 33100 Udine, Italy
Phon
5.1.3 showing error dft method scan is unrecognised. Hello,compatibility with the recent libxc version 5.1.3 still hasn't been fully checked in QE, however, I managed to run a few tests with QE6.7 with no problems, both with libxc 5.1.2 and 5.1.3 (in QE6.7 there should be no need to change x
Hello,
compatibility with the recent libxc version 5.1.3 still hasn't been fully
checked in QE, however, I managed to run a few tests with QE6.7 with no
problems, both with libxc 5.1.2 and 5.1.3 (in QE6.7 there should be no need
to change xc_f90 to xc_f03 anywhere). Has your QE code been modified w
Dear all,I have compiled qE 6.7 with libxc library successfully. I have downloaded SCAN pp files from QE website. I have tried commands with input_dft=’scan’ and ‘mgga_x_scan mgga_c_scan’. IT is showing error like dft method scan is unrecognized. I am sure that libxc library is successfully linked
