[QE-users] Error in ph.x

[LEUNG Clarence]

Many thanks. I have make it. The license of ifort was expired.



Best regards,
LIANG Xiongyi
Department of Materials Science and Engineering
City University of Hongkong



-------- Original message --------
From: Lorenzo Paulatto <paulatz at gmail.com>
Date: 13/10/2020 14:53 (GMT+08:00)
To: users at lists.quantum-espresso.org
Subject: Re: [QE-users] Error in ph.x

You can compile qe 6.6 in exactly the same way as 6.3. If someone else
did it for you ask him/her for help.

kind regards

On 10/13/20 5:43 AM, LEUNG Clarence wrote:
> 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
>>
>>
>> _______________________________________________
>> Quantum ESPRESSO is supported by MaX (<http://>www.max-centre.eu <http://www.max-centre.eu>)
>> users mailing list users at lists.quantum-espresso.org
>> https://lists.quantum-espresso.org/mailman/listinfo/users
>>
>
> --
> Lorenzo Paulatto - Paris
> _______________________________________________
> Quantum ESPRESSO is supported by MaX (<http://>www.max-centre.eu
> <http://www.max-centre.eu>)
> users mailing list users at lists.quantum-espresso.org
> https://lists.quantum-espresso.org/mailman/listinfo/users
>
>
> _______________________________________________
> Quantum ESPRESSO is supported by MaX (www.max-centre.eu<http://www.max-centre.eu>)
> users mailing list users at lists.quantum-espresso.org
> https://lists.quantum-espresso.org/mailman/listinfo/users
>

--
Lorenzo Paulatto - Paris
_______________________________________________
Quantum ESPRESSO is supported by MaX (www.max-centre.eu<http://www.max-centre.eu>)
users mailing list users at lists.quantum-espresso.org
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