[QE-users] Error during compilation in the step of make all command

[林聖智]

Besides, is there a way that I can edit the file of cell_base.f90? I think I could add some options to it and then carry out the calculation of vc_relax using the ‘ibrav’ for the cell_dofree description. But, thus far, I couldn’t find out the Module file when QE was installed using MacPorts.

Thank you for considering my request.
Sheng-Chih Lin
r03223130 at ntu.edu.tw




> Paolo Giannozzi <p.giannozzi at gmail.com> 於 2019年9月19日 下午9:03 寫道：
> 
> I see. For some reason the configure of FoX selects a different version of gfortran than the one selected by the configure of QE. Any Macintosh lover out there?
> 
> Paolo
> 
> 
> On Thu, Sep 19, 2019 at 2:57 PM 林聖智 <r03223130 at ntu.edu.tw <mailto:r03223130 at ntu.edu.tw>> wrote:
> Hi Paolo,
> 
> Following the last mail, after failing to install the version 6.4, I went back to that of 6.3. Yet, this time I didn’t use MacPorts to install it, but used steps of ./configure and make all to carry the installation. And, the installation did not work. After that, I used MacPorts to install the version 6.3 successfully. 
> 
> Hope this piece of information can help identify the problem with the manual installation in my computer.  
> 
> Thank you for considering my request.
> Sheng-Chih Lin
> r03223130 at ntu.edu.tw <mailto:r03223130 at ntu.edu.tw>
> 
> 
> 
> 
>> 林聖智 <r03223130 at ntu.edu.tw <mailto:r03223130 at ntu.edu.tw>> 於 2019年9月19日 下午8:37 寫道：
>> 
>> Hi Paolo,
>> 
>> Thanks again for your kind help. I originally used MacPorts to install quantum-espresso 6.3, and I thought there might be a conflict between two versions, so I then uninstalled 6.3 first and complied again. However, the message, as follows, just kept showing up. And I also tried the command - make clean, but was no joy, either. 
>> 
>> 
>> fox_init_module.f90:5:4:
>> 
>>  USE m_common_io, ONLY: setup_io, io_err, io_eor, io_eof
>>     1
>> Fatal Error: Cannot read module file 'm_common_io.mod' opened at (1), because it was created by a different version of GNU Fortran
>> 
>> 
>> Also, when I make clean, the FoX file would automatically disappear as well, so I am confused with your instruction of removing the directory FoX. 
>> 
>> Thank you for considering my request.
>> Sheng-Chih Lin
>> r03223130 at ntu.edu.tw <mailto:r03223130 at ntu.edu.tw>
>> 
>> 
>> 
>> 
>>> Paolo Giannozzi <p.giannozzi at gmail.com <mailto:p.giannozzi at gmail.com>> 於 2019年9月19日 下午4:33 寫道：
>>> 
>>> Remove the directory FoX/ and recompile - Paolo
>>> 
>>> On Thu, Sep 19, 2019 at 8:37 AM 林聖智 <r03223130 at ntu.edu.tw <mailto:r03223130 at ntu.edu.tw>> wrote:
>>> Dear Paolo Giannozzi,
>>> 
>>> Thanks for the reply. I do use the command of make clean, but still cannot compile completely.
>>> 
>>> Best, 
>>> Sheng-Chih
>>> 
>>> > Paolo Giannozzi <p.giannozzi at gmail.com <mailto:p.giannozzi at gmail.com>> 於 2019年9月19日 下午2:29 寫道：
>>> > 
>>> > Fortran
>>> 
>>> _______________________________________________
>>> Quantum ESPRESSO is supported by MaX (www.max-centre.eu/quantum-espresso <http://www.max-centre.eu/quantum-espresso>)
>>> users mailing list users at lists.quantum-espresso.org <mailto:users at lists.quantum-espresso.org>
>>> https://lists.quantum-espresso.org/mailman/listinfo/users <https://lists.quantum-espresso.org/mailman/listinfo/users>
>>> 
>>> -- 
>>> Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche,
>>> Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
>>> Phone +39-0432-558216, fax +39-0432-558222
>>> 
>>> _______________________________________________
>>> Quantum ESPRESSO is supported by MaX (www.max-centre.eu/quantum-espresso <http://www.max-centre.eu/quantum-espresso>)
>>> users mailing list users at lists.quantum-espresso.org <mailto:users at lists.quantum-espresso.org>
>>> https://lists.quantum-espresso.org/mailman/listinfo/users <https://lists.quantum-espresso.org/mailman/listinfo/users>
>> _______________________________________________
>> Quantum ESPRESSO is supported by MaX (www.max-centre.eu/quantum-espresso <http://www.max-centre.eu/quantum-espresso>)
>> users mailing list users at lists.quantum-espresso.org <mailto:users at lists.quantum-espresso.org>
>> https://lists.quantum-espresso.org/mailman/listinfo/users <https://lists.quantum-espresso.org/mailman/listinfo/users>
> _______________________________________________
> Quantum ESPRESSO is supported by MaX (www.max-centre.eu/quantum-espresso <http://www.max-centre.eu/quantum-espresso>)
> users mailing list users at lists.quantum-espresso.org <mailto:users at lists.quantum-espresso.org>
> https://lists.quantum-espresso.org/mailman/listinfo/users <https://lists.quantum-espresso.org/mailman/listinfo/users>
> 
> -- 
> Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche,
> Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
> Phone +39-0432-558216, fax +39-0432-558222
> 
> _______________________________________________
> Quantum ESPRESSO is supported by MaX (www.max-centre.eu/quantum-espresso)
> users mailing list users at lists.quantum-espresso.org
> https://lists.quantum-espresso.org/mailman/listinfo/users

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