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

[Will DeBenedetti]

I have QE successfully compiled and linked on macOS 10.14 and 10.13 on 2015
MacBook Pros with i7 processors, albeit using version 6.4.1 and the iFort
compilers with MPICH. The make.include file had to be heavily edited to the
correct paths to the MKL libs *etc*. whereas older versions of QE (5.4(ish)
and macOS would detect the libraries and parallel environment without
issues.

I would try making one binary instead of using 'make all' if you are
troubleshooting. Also, if you have later versions of macOS system integrity
protection will mess up being able to call QE from just about everything
besides the command line (and sometimes even that). You're kind of leaving
us in the dark in terms of your setup and how you are approaching the
configuration.

What version of gFortran are you using?
Are you using a parallel environment? If so, are you using openMPI or MPICH?
Have you edited the make.inc file correctly?
If you are using ./configure, what are the [options] you are including (if
any)?
Can you give some more information re. your system info? *i.e. *number of
processors *etc. *macOS version?

Will DeBenedetti
Cornell University






On Thu, Sep 19, 2019 at 10:10 AM 林聖智 <r03223130 at ntu.edu.tw> wrote:

> 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> 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
>>
>>
>>
>>
>> 林聖智 <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
>>
>>
>>
>>
>> Paolo Giannozzi <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> 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> 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
>>> )
>>> users mailing list users at lists.quantum-espresso.org
>>> 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
>>
>>
>> _______________________________________________
>> 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
>>
>>
>> _______________________________________________
>> 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
>
>
>
> --
> 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
>
>
> _______________________________________________
> 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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