Restart from the middle of a fragment in BSE calc.

Run-time issues concerning Yambo that are not covered in the above forums.

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emerarud
Posts: 14
Joined: Wed Sep 16, 2015 10:55 am

Restart from the middle of a fragment in BSE calc.

Post by emerarud » Thu Jan 26, 2017 9:55 am

Hi all,

I would like to calculate BSE for a huge system.

Before that, I tested to restart a BSE calc from
the middle of a fragment (in Kernel loop), but failed.

I am wondering if it is possible or not.

I attached the log file.

Best.

Kousuke
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Kosuke Nakano
Asahi Glass Co., Ltd. Corporate Research Center
1150 Hazawa-cho Kanagawa-ku Yokohama-shi
Kanagawa 221-8755 Japan

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Daniele Varsano
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Joined: Tue Mar 17, 2009 2:23 pm
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Re: Restart from the middle of a fragment in BSE calc.

Post by Daniele Varsano » Thu Jan 26, 2017 11:13 am

Dear Kousuke,

Unfortunately restart in the consitruction of BS kernel is not possible.
In case you have I/O problem, or BSE is producing too many fragment you can avoid to write the BS on disk, setting:
DBsIOoff= "BS"
sometimes this is useful, and it can speed up the calculation.

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/

emerarud
Posts: 14
Joined: Wed Sep 16, 2015 10:55 am

Re: Restart from the middle of a fragment in BSE calc.

Post by emerarud » Thu Jan 26, 2017 3:25 pm

Dear Daniele

Thank you for your prompt reply!

> Unfortunately restart in the consitruction of BS kernel is not possible.

Sure!

Best regards

Kousuke
Kosuke Nakano
Asahi Glass Co., Ltd. Corporate Research Center
1150 Hazawa-cho Kanagawa-ku Yokohama-shi
Kanagawa 221-8755 Japan

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