[QE-users] [QE-user] QE on AIIDA labs

Yuvam Bhateja yuvamb16 at gmail.com
Wed May 27 20:44:04 CEST 2020


Thanks a lot for the help sir

On Wed, 27 May 2020, 11:13 pm Ercole Loris, <loris.ercole at epfl.ch> wrote:

> Hello Yuvam,
>
>
> I suggest you to have a look at the documentation of
> the aiida-quantumespresso plugin:
>
> https://aiida-quantumespresso.readthedocs.io/en/latest/
>
> <https://aiida-quantumespresso.readthedocs.io/en/latest/>it will give you
> some examples of QE scripts run with AiiDA.
>
>
> Also you can have a look at some tutorials here:
>
> https://aiida-tutorials.readthedocs.io/en/latest/
>
>
> If you have more specific questions, you can write to the AiiDA-users
> mailing list:
>
> http://www.aiida.net/mailing-list/
>
> aiidausers at googlegroups.com
>
>
> Best,
>
> -Loris
>
>
>
> ---
> Loris Ercole
> Postdoctoral Researcher
> Theory and Simulation of Materials – École Polytechnique Fédérale de
> Lausanne
> | Address:  EPFL STI IMX THEOS, Station 9 – CH-1015 Lausanne (Switzerland)
> | Office:  ME D2 1022 | Phone:  +41 21 693 1099 |
> https://people.epfl.ch/loris.ercole
>
> ------------------------------
> *From:* users <users-bounces at lists.quantum-espresso.org> on behalf of
> Yuvam Bhateja <yuvamb16 at gmail.com>
> *Sent:* Wednesday, May 27, 2020 5:52:01 PM
> *To:* users at lists.quantum-espresso.org
> *Subject:* [QE-users] [QE-user] QE on AIIDA labs
>
> Hey,
> I was trying to run QE on AIIDA using my QE input file .in but the process
> doesn't carry on.
> What kind of input does QE on aiida takes?
> And while using AIIDA labs (on cloud) what is the limit of CPU cores that
> I can use to run the calculation?
>
> Regards
> Yuvam Bhateja
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