[QE-users] Error in ph.x

[Lorenzo Paulatto]

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 (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
> https://lists.quantum-espresso.org/mailman/listinfo/users
> 
> 
> _______________________________________________
> Quantum ESPRESSO is supported by MaX (www.max-centre.eu)
> users mailing list users at lists.quantum-espresso.org
> https://lists.quantum-espresso.org/mailman/listinfo/users
> 

-- 
Lorenzo Paulatto - Paris