Re: [QE-users] Fail to generate my pseudopotential

2024-02-16 Thread Paolo Giannozzi

It is a problem of some old versions of gfortran.

Paolo

On 17/02/2024 03:05, wangzongyi via users wrote:

Dear all

I am trying to generate my pseudopotential under the guide of QE's website

*https://dalcorso.github.io/pslibrary/pslibrary_help.html.*

  I first print   '*./configure*' under the directory of

*/public3/home/scg9084/wzy/qe-6.6*

  after the program is finished, I entered    '*make dir*'  ,however, 
the program shows


Error: Assumed-shape array 'zmat' at (1) cannot be an argument to the 
procedure 'c_loc' because it is not C interoperable


xmltools.f90:797.18:

        cp = c_loc(zvec)

                   1

Consequently, Iwrite the path of the main QE directory in the file 
*QE_path*, after that ,I enter pbe file and print


*. ../make_ps*

but after a few moments, I gained an empty pseudopotential file

What happened?Could you please help me?

Thank you very much

Your since

Zongyi Wang

.

___
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--
Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche,
Univ. Udine, via delle Scienze 206, 33100 Udine Italy, +39-0432-558216
___
The Quantum ESPRESSO community stands by the Ukrainian
people and expresses its concerns about the devastating
effects that the Russian military offensive has on their
country and on the free and peaceful scientific, cultural,
and economic cooperation amongst peoples
___
Quantum ESPRESSO is supported by MaX (www.max-centre.eu)
users mailing list users@lists.quantum-espresso.org
https://lists.quantum-espresso.org/mailman/listinfo/users

[QE-users] Fail to generate my pseudopotential

2024-02-16 Thread wangzongyi via users
Dear all

 

I am trying to generate my pseudopotential under the guide of QE's website 

https://dalcorso.github.io/pslibrary/pslibrary_help.html. 

 I first print   './configure'  under the directory of 

/public3/home/scg9084/wzy/qe-6.6 

 after the program is finished, I entered'make dir'  ,however, the program 
shows

 

Error: Assumed-shape array 'zmat' at (1) cannot be an argument to the procedure 
'c_loc' because it is not C interoperable

xmltools.f90:797.18:

 

   cp = c_loc(zvec)

  1

 

Consequently, I write the path of the main QE directory in the file QE_path, 
after that ,I enter pbe file and print

. ../make_ps

but after a few moments, I gained an empty pseudopotential file 

What happened?Could you please help me?

 

Thank you very much 

 

Your since

Zongyi Wang

.___
The Quantum ESPRESSO community stands by the Ukrainian
people and expresses its concerns about the devastating
effects that the Russian military offensive has on their
country and on the free and peaceful scientific, cultural,
and economic cooperation amongst peoples
___
Quantum ESPRESSO is supported by MaX (www.max-centre.eu)
users mailing list users@lists.quantum-espresso.org
https://lists.quantum-espresso.org/mailman/listinfo/users