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/ [email protected] 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 <[email protected]> on behalf of Yuvam Bhateja <[email protected]> Sent: Wednesday, May 27, 2020 5:52:01 PM To: [email protected] 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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