Reduce the needed space for the bse tmp

Deals with issues related to computation of optical spectra in reciprocal space: RPA, TDDFT, local field effects.

Moderators: Davide Sangalli, andrea.ferretti, myrta gruning, andrea marini, Daniele Varsano, Conor Hogan

Post Reply
samaneh
Posts: 165
Joined: Tue Jan 21, 2014 9:03 am

Reduce the needed space for the bse tmp

Post by samaneh » Wed Jun 01, 2016 8:49 am

Dear Developers,

I have some limitation on my quota in our cluster!
Whenever I am doing BSE calculations, it stopp because of
lacking of space!
Is that possible to reduce the needed space for the bse tmp??

Thank you in advance
Samaneh
S. Ataei, PhD student at University of Tehran, Iran.

User avatar
Daniele Varsano
Posts: 4198
Joined: Tue Mar 17, 2009 2:23 pm
Contact:

Re: Reduce the needed space for the bse tmp

Post by Daniele Varsano » Wed Jun 01, 2016 9:02 am

Dear Samaneh ,

If you are using the 4.0.x release you can avoid to write the BSE matrix by setting:
DBsIOoff= "BS"
this variable appear when building input with the io verbosity.

If you are using older version you can only try to reduce the dimension of your matrix.

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/

samaneh
Posts: 165
Joined: Tue Jan 21, 2014 9:03 am

Re: Reduce the needed space for the bse tmp

Post by samaneh » Wed Jun 01, 2016 9:22 am

Dear Daniele,

Thank you very much for your quick reply.
I am using the older version!

Best regards
Samaneh
S. Ataei, PhD student at University of Tehran, Iran.

Post Reply