[QE-users] Error in seqopn

[Paolo Giannozzi]

Try to replace outdir='./out/' with with outdir='out'. Opening files in
Windows is by far the most serious source of trouble.

Paolo

On Sat, Jan 16, 2021 at 3:07 AM precious Ekwere <preciousekwere01 at gmail.com>
wrote:

> Thank you for your email.
>
> Yes I use windows 10
>
> And my QE is v 6.4.1
>
> Thank you
> Precious
>
> On Fri, Jan 15, 2021, 1:45 PM Paolo Giannozzi <p.giannozzi at gmail.com>
> wrote:
>
>> Are you by any chance running on Windows? which QE version?
>>
>> Paolo
>>
>> On Fri, Jan 15, 2021 at 11:59 AM precious Ekwere <
>> preciousekwere01 at gmail.com> wrote:
>>
>>> Good day all,
>>>
>>>
>>>
>>> I am very new to computational chemistry and have just downloaded  QE I
>>> tried to run an SCI calculation with the attached input script but keep
>>> getting the error message
>>>
>>>  %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
>>>      Error in routine seqopn (99):
>>>      error opening ./out/\aiida.save\paw.txt
>>>  %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
>>>
>>> I also tried to run relax following a youtube video, and I am getting
>>> this error message.
>>>
>>>
>>>
>>> %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
>>>
>>>      Error in routine seqopn (99):
>>>
>>>      error opening ./out/\aiida.save\paw.txt
>>>
>>> %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
>>>
>>> I do not have an idea how to resolve this, and will appreciate your help.
>>>
>>>
>>>
>>> Regards,
>>>
>>> Precious Ekwere
>>>
>>>
>>> _______________________________________________
>>> Quantum ESPRESSO is supported by MaX (www.max-centre.eu)
>>> 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 206, 33100 Udine, Italy
>> Phone +39-0432-558216, fax +39-0432-558222
>>
>> _______________________________________________
>> Quantum ESPRESSO is supported by MaX (www.max-centre.eu)
>> 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)
> 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 206, 33100 Udine, Italy
Phone +39-0432-558216, fax +39-0432-558222
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