<p>
| Note however that gfortran 4.8.3 is very old and may not be able to compile QE (but it should be recognized by configure)
</p>
<p>
What are the recommended versions ? I got some mysterious errors in the compilation ...
</p>
<br>
<br>
<span>--<br>
-------------------
连云龙 | Yunlong LIAN
ORCID : https://orcid.org/0000-0002-9474-2181
中国散裂中子源 | CSNS
中子科学部 | Dongguan Neutron Science Center
中国广东省东莞市 | Dongguan, Guangdong, P. R. China</span><br>
<blockquote name="replyContent" class="ReferenceQuote" style="padding-left:5px;margin-left:5px;border-left:#b6b6b6 2px solid;margin-right:0;">
-----Original Messages-----<br>
<b>From:</b><span id="rc_from">"Paolo Giannozzi" <p.giannozzi@gmail.com></span><br>
<b>Sent Time:</b><span id="rc_senttime">2020-10-13 15:55:32 (Tuesday)</span><br>
<b>To:</b> "Quantum ESPRESSO users Forum" <users@lists.quantum-espresso.org><br>
<b>Cc:</b> <br>
<b>Subject:</b> Re: [QE-users] Error in ph.x<br>
<br>
<div dir="ltr">
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Note however that gfortran 4.8.3 is very old and may not be able to compile QE (but it should be recognized by configure)
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<div>
<br>
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<div>
Paolo<br>
</div>
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<br>
<div class="gmail_quote">
<div dir="ltr" class="gmail_attr">
On Tue, Oct 13, 2020 at 8:53 AM Lorenzo Paulatto <<a href="mailto:paulatz@gmail.com">paulatz@gmail.com</a>> wrote:<br>
</div>
<blockquote class="gmail_quote" style="margin:0px 0px 0px 0.8ex;border-left:1px solid #CCCCCC;padding-left:1ex;">
You can compile qe 6.6 in exactly the same way as 6.3. If someone else <br>
did it for you ask him/her for help.<br>
<br>
kind regards<br>
<br>
On 10/13/20 5:43 AM, LEUNG Clarence wrote:<br>
> I also have mpiifor:<br>
> <br>
> which mpiifort<br>
> <br>
> /opt/intel/compilers_and_libraries_2017.1.132/linux/mpi/intel64/bin/mpiifort<br>
> <br>
> Thanks!<br>
> <br>
> Best regards,<br>
> <br>
> LIANG Xiongyi<br>
> <br>
> Postdoctoral Fellow<br>
> <br>
> City University of Hong Kong<br>
> <br>
> *From: *LEUNG Clarence <mailto:<a href="mailto:liangxy123@hotmail.com" target="_blank">liangxy123@hotmail.com</a>><br>
> *Sent: *2020年10月13日11:29<br>
> *To: *Quantum ESPRESSO users Forum <mailto:<a href="mailto:users@lists.quantum-espresso.org" target="_blank">users@lists.quantum-espresso.org</a>><br>
> *Subject: *Re: [QE-users] Error in ph.x<br>
> <br>
> Dear Lorenzo,<br>
> <br>
> Thanks for your suggestion. When I compile QE6.6, an error happens as <br>
> follows:<br>
> <br>
> configure error fortran could not compile .f90 files<br>
> <br>
> I have checked the gfortran in my PC:<br>
> <br>
> GNU Fortran (GCC) 4.8.3 20140911 (Red Hat 4.8.3-9)<br>
> <br>
> And its direction is /usr/bin/gfortran<br>
> <br>
> Thanks!<br>
> <br>
> Best regards,<br>
> <br>
> Clarence<br>
> <br>
> *From: *Lorenzo Paulatto <mailto:<a href="mailto:paulatz@gmail.com" target="_blank">paulatz@gmail.com</a>><br>
> *Sent: *2020年10月13日1:00<br>
> *To: *<a href="mailto:users@lists.quantum-espresso.org" target="_blank">users@lists.quantum-espresso.org</a> <br>
> <mailto:<a href="mailto:users@lists.quantum-espresso.org" target="_blank">users@lists.quantum-espresso.org</a>><br>
> *Subject: *Re: [QE-users] Error in ph.x<br>
> <br>
> use qe6.5 or 6.6<br>
> regards<br>
> <br>
> On 10/12/20 6:52 PM, LEUNG Clarence wrote:<br>
>> The Version of QE I used is QE630. Thanks.<br>
>> <br>
>> <br>
>> <br>
>> -------- Original message --------<br>
>> From: LEUNG Clarence <<a href="mailto:liangxy123@hotmail.com" target="_blank">liangxy123@hotmail.com</a>><br>
>> Date: 13/10/2020 00:50 (GMT+08:00)<br>
>> To: <a href="mailto:users@lists.quantum-espresso.org" target="_blank">users@lists.quantum-espresso.org</a><br>
>> Subject: [QE-users] Error in ph.x<br>
>> <br>
>> Dear QEuser,<br>
>> <br>
>> Recently, I come across a problem in runing ph.x as follow:<br>
>> <br>
>> %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%<br>
>> Error in routine phq_readin (1):<br>
>> The phonon code with LDA+U is not yet available<br>
>> %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%<br>
>> <br>
>> This is a system must include DFT+U method. If I do not use DFT+U in <br>
>> scf, it cannot converge even at 1000 steps.<br>
>> <br>
>> It is very appricated that give me some advices.<br>
>> <br>
>> Best regards,<br>
>> Clarence<br>
>> Postdoc<br>
>> Department of Materials Science and Engineering<br>
>> City Univeristy of Hong Kong<br>
>> <br>
>> <br>
>> _______________________________________________<br>
>> Quantum ESPRESSO is supported by MaX (<a href="http://www.max-centre.eu" rel="noreferrer" target="_blank">www.max-centre.eu</a> <<a href="http://www.max-centre.eu" rel="noreferrer" target="_blank">http://www.max-centre.eu</a>>)<br>
>> users mailing list <a href="mailto:users@lists.quantum-espresso.org" target="_blank">users@lists.quantum-espresso.org</a><br>
>> <a href="https://lists.quantum-espresso.org/mailman/listinfo/users" rel="noreferrer" target="_blank">https://lists.quantum-espresso.org/mailman/listinfo/users</a><br>
>> <br>
> <br>
> -- <br>
> Lorenzo Paulatto - Paris<br>
> _______________________________________________<br>
> Quantum ESPRESSO is supported by MaX (<a href="http://www.max-centre.eu" rel="noreferrer" target="_blank">www.max-centre.eu</a> <br>
> <<a href="http://www.max-centre.eu" rel="noreferrer" target="_blank">http://www.max-centre.eu</a>>)<br>
> users mailing list <a href="mailto:users@lists.quantum-espresso.org" target="_blank">users@lists.quantum-espresso.org</a><br>
> <a href="https://lists.quantum-espresso.org/mailman/listinfo/users" rel="noreferrer" target="_blank">https://lists.quantum-espresso.org/mailman/listinfo/users</a><br>
> <br>
> <br>
> _______________________________________________<br>
> Quantum ESPRESSO is supported by MaX (<a href="http://www.max-centre.eu" rel="noreferrer" target="_blank">www.max-centre.eu</a>)<br>
> users mailing list <a href="mailto:users@lists.quantum-espresso.org" target="_blank">users@lists.quantum-espresso.org</a><br>
> <a href="https://lists.quantum-espresso.org/mailman/listinfo/users" rel="noreferrer" target="_blank">https://lists.quantum-espresso.org/mailman/listinfo/users</a><br>
> <br>
<br>
-- <br>
Lorenzo Paulatto - Paris<br>
_______________________________________________<br>
Quantum ESPRESSO is supported by MaX (<a href="http://www.max-centre.eu" rel="noreferrer" target="_blank">www.max-centre.eu</a>)<br>
users mailing list <a href="mailto:users@lists.quantum-espresso.org" target="_blank">users@lists.quantum-espresso.org</a><br>
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-- <br>
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Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche,<br>
Univ. Udine, via delle Scienze 208, 33100 Udine, Italy<br>
Phone +39-0432-558216, fax +39-0432-558222<br>
<br>
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</blockquote>