[QE-users] Error in ph.x

[LEUNG Clarence]

I also have mpiifor:
which mpiifort
/opt/intel/compilers_and_libraries_2017.1.132/linux/mpi/intel64/bin/mpiifort

Thanks!
Best regards,
LIANG Xiongyi
Postdoctoral Fellow
City University of Hong Kong

From: LEUNG Clarence<mailto:liangxy123 at hotmail.com>
Sent: 2020年10月13日 11:29
To: Quantum ESPRESSO users Forum<mailto:users at lists.quantum-espresso.org>
Subject: Re: [QE-users] Error in ph.x

Dear Lorenzo,

Thanks for your suggestion. When I compile QE6.6, an error happens as follows:
configure error fortran could not compile .f90 files

I have checked the gfortran in my PC:
GNU Fortran (GCC) 4.8.3 20140911 (Red Hat 4.8.3-9)
And its direction is /usr/bin/gfortran

Thanks!
Best regards,
Clarence

From: Lorenzo Paulatto<mailto:paulatz at gmail.com>
Sent: 2020年10月13日 1:00
To: users at lists.quantum-espresso.org<mailto:users at lists.quantum-espresso.org>
Subject: Re: [QE-users] Error in ph.x

use qe6.5 or 6.6
regards

On 10/12/20 6:52 PM, LEUNG Clarence wrote:
> The Version of QE I used is QE630. Thanks.
>
>
>
> -------- Original message --------
> From: LEUNG Clarence <liangxy123 at hotmail.com>
> Date: 13/10/2020 00:50 (GMT+08:00)
> To: users at lists.quantum-espresso.org
> Subject: [QE-users] Error in ph.x
>
> Dear QEuser,
>
> Recently, I come across a problem in runing ph.x as follow:
>
>   %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
>       Error in routine phq_readin (1):
>       The phonon code with LDA+U is not yet available
>   %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
>
> This is a system must include DFT+U method. If I do not use DFT+U in
> scf, it cannot converge even at 1000 steps.
>
> It is very appricated that give me some advices.
>
> Best regards,
> Clarence
> Postdoc
> Department of Materials Science and Engineering
> City Univeristy of Hong Kong
>
>
> _______________________________________________
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--
Lorenzo Paulatto - Paris
_______________________________________________
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