[QE-developers] fatal error reading xml file

[Tobias Kloeffel]

Hi,
I barley remember an issue if the last sign in a block is a ','
could you please try to remove those?
E.g.

verbosity='high'
instead of
verbosity='high',

and

conv_thr=1d-8
instead of
conv_thr=1d-8,

Kind regards,

On 2/18/20 10:30 AM, Pietro Delugas wrote:
>
> Hi
>
> I checked your input with version 6.5,  it seems to be working fine.
>
> Your issue could be related with the compiler you are using.
>
> Could  you give us more details ?
>
> regards - Pietro
>
> On 18/02/20 07:40, vinsa kharisma wrote:
>> Dear developer of quantum espresso
>>
>> I have done calculations with quantum espresso starting in version 5 
>> and there are no problems in calculating scf, nscf, bands, or dos. 
>> but when I use version 6.4.1 there is an error like this:
>>
>>  %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
>>      task #         0
>>      from read_conf_from_file : error #         1
>>      fatal error reading xml file
>>  %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
>>
>>
>> I think this is a bug and I try to use the latest version, which is 
>> version 6.5 and do the scf, kpoint, and bandstructure calculations, 
>> but when I count nscf,
>> there is the same CRASH as version 6.4.1. I have tried asking my 
>> professor who has also used quantum espresso for a long time, but he 
>> has never experienced an error like this. how is the solution? Please 
>> help.
>>
>> Thank you
>> Best Regards
>> vinsa
>>
>> here I attach my input :
>>
>> _______________________________________________
>> developers mailing list
>> developers at lists.quantum-espresso.org
>> https://lists.quantum-espresso.org/mailman/listinfo/developers
>
> _______________________________________________
> developers mailing list
> developers at lists.quantum-espresso.org
> https://lists.quantum-espresso.org/mailman/listinfo/developers


-- 
M.Sc. Tobias Klöffel
=======================================================
HPC (High Performance Computing) group
Erlangen Regional Computing Center(RRZE)
Friedrich-Alexander-Universität Erlangen-Nürnberg
Martensstr. 1
91058 Erlangen

Room: 1.133
Phone: +49 (0) 9131 / 85 - 20101

=======================================================

E-mail: tobias.kloeffel at fau.de

-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/developers/attachments/20200218/50df4b1b/attachment-0001.html>