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Parallel error while running GW
Posted: Sun Feb 13, 2022 3:18 pm
by lamia
Dear developpers,
I submit the job for GW in parallel and after some time the calculation is stopped showing the following error message:
You will find in the attachments the input and log file etc.
Best,
Lamia
Re: Parallel error while running GW
Posted: Mon Feb 14, 2022 10:03 am
by Daniele Varsano
Dear Lamia,
in order to inspect the problem can you post also the report file?
Next, I see you are sing a rather old version of the code, first of all I strongly suggest you to update to a newer release.
Best,
Daniele
Re: Parallel error while running GW
Posted: Mon Feb 14, 2022 12:52 pm
by lamia
Dear Daniele,
Thank you for your reply.
The report file is in the attachment.
I am using an old version of the code because the latest one couldn't be installed in parallel.
Best,
Lamia
Re: Parallel error while running GW
Posted: Mon Feb 14, 2022 1:09 pm
by Daniele Varsano
Dear Lamia,
it seems the problem is not related to the parallelisation but it is due that your k point sampling is not recognised as uniform:
My suggestion is to use a gamma centred k points grid.
The if it fails you can use a different algorithm for the setup including NoDiagSC variable in your setup input file, but I'm not sure if this is present in the old version you are using.
If you have problem in compiling the last version of Yambo, please post your problem and we will try to help you.
Best,
Daniele