Dear Paolo,
Thank you for your help!
Actually I had followed the input guidelines and left it unspecified in
order to get the default value. By specifying the newoutdir in the input
file the program starts, however now it crashes with
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
task # 23
from importexport : error # 1
copying the data-file.xml file
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
I'm currently using version 6.3 of QE.
Moreover, when I specify "export" as direction, the conversion of the
charge-density.dat file to non-binary format, that should take place before
the error, does not seem to produce an .xml file in the newoutdir, but it
always copy the binary charge-density.dat file.
Thank you again for your help!
Best,
Michele
--
Michele Re Fiorentin, PhD
Istituto Italiano di Tecnologia (IIT)
Center for Sustainable Future Technologies @ PoliTO
Corso Trento, 21
10129 Torino (Italy)
Tel.: +39 011/5091904
email: [email protected]
Il giorno mar 30 ott 2018 alle ore 17:11 Paolo Giannozzi <
[email protected]> ha scritto:
> Anyway: likely the error is in this call to "trimcheck"
> new_tmp_dir = trimcheck (newoutdir)
> failing because variable "newoutdir" is not set to anything
>
> Paolo
>
> On Tue, Oct 30, 2018 at 5:06 PM Paolo Giannozzi <[email protected]>
> wrote:
>
>> You aren't missing anything, it's your input file that is missing ...
>>
>> On Tue, Oct 30, 2018 at 4:06 PM Michele Re Fiorentin <
>> [email protected]> wrote:
>>
>>> Dear QE users,
>>>
>>> I'm currently trying to use importexport_binary.x with QE 6.3 by running
>>> importexport_binary.x < input.in > output.out
>>> however the output invariably results in
>>>
>>> Error in routine trimcheck (1):
>>> input name empty
>>>
>>> I carefully checked my inputfile but I can't get it work. What am I
>>> missing?
>>> Thank you very much for your help.
>>> Best,
>>>
>>> Michele
>>>
>>>
>>>
>>> --
>>> Michele Re Fiorentin, PhD
>>>
>>> Istituto Italiano di Tecnologia (IIT)
>>> Center for Sustainable Future Technologies @ PoliTO
>>> Corso Trento, 21
>>> 10129 Torino (Italy)
>>> Tel.: +39 011/5091904
>>> email: [email protected]
>>>
>>> _______________________________________________
>>> users mailing list
>>> [email protected]
>>> 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
>>
>>
>
> --
> 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
>
> _______________________________________________
> users mailing list
> [email protected]
> https://lists.quantum-espresso.org/mailman/listinfo/users
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