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
Parallel error while running GW
Moderators: Davide Sangalli, andrea.ferretti, myrta gruning, andrea marini, Daniele Varsano
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- Posts: 68
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Parallel error while running GW
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Taouil Lamia
University of Mohammed V
Faculty of science - Rabat
Morocco
University of Mohammed V
Faculty of science - Rabat
Morocco
- Daniele Varsano
- Posts: 3844
- Joined: Tue Mar 17, 2009 2:23 pm
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Re: Parallel error while running GW
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
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
Dr. Daniele Varsano
S3-CNR Institute of Nanoscience and MaX Center, Italy
MaX - Materials design at the Exascale
http://www.nano.cnr.it
http://www.max-centre.eu/
S3-CNR Institute of Nanoscience and MaX Center, Italy
MaX - Materials design at the Exascale
http://www.nano.cnr.it
http://www.max-centre.eu/
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- Posts: 68
- Joined: Mon Dec 05, 2016 5:09 pm
Re: Parallel error while running GW
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
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
You do not have the required permissions to view the files attached to this post.
Taouil Lamia
University of Mohammed V
Faculty of science - Rabat
Morocco
University of Mohammed V
Faculty of science - Rabat
Morocco
- Daniele Varsano
- Posts: 3844
- Joined: Tue Mar 17, 2009 2:23 pm
- Contact:
Re: Parallel error while running GW
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
it seems the problem is not related to the parallelisation but it is due that your k point sampling is not recognised as uniform:
Code: Select all
X grid is uniform :no
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
Dr. Daniele Varsano
S3-CNR Institute of Nanoscience and MaX Center, Italy
MaX - Materials design at the Exascale
http://www.nano.cnr.it
http://www.max-centre.eu/
S3-CNR Institute of Nanoscience and MaX Center, Italy
MaX - Materials design at the Exascale
http://www.nano.cnr.it
http://www.max-centre.eu/