restart BSE
Moderators: Davide Sangalli, andrea.ferretti, myrta gruning, andrea marini, Daniele Varsano, Conor Hogan
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michele guerrini
- Posts: 11
- Joined: Thu Mar 28, 2019 10:53 am
restart BSE
Dear developers, as I am running on a cluster with 12:00:00 hrs walltime, I would like to know if it is possible to restart a bse calculation when the code has not yet completed the building of the BSE kernel elements. If not, do I need to remove all the ndb.BS_** files and restart the calculation again from scratch ? Thank you
Dr. Michele Guerrini
Humboldt-Universität zu Berlin
Institut für Physik und IRIS Adlershof
Zum Grossen Windkanal 6, 12489 Berlin, Germany
e-mail: guerrini@physik.hu-berlin.de
Skype: merlin__88
Humboldt-Universität zu Berlin
Institut für Physik und IRIS Adlershof
Zum Grossen Windkanal 6, 12489 Berlin, Germany
e-mail: guerrini@physik.hu-berlin.de
Skype: merlin__88
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Daniele Varsano
- Posts: 4198
- Joined: Tue Mar 17, 2009 2:23 pm
- Contact:
Re: restart BSE
Dear Michele,
it should be possible by compiling the code using parallel I/O. You need to add this line in the configure:
--enable-hdf5-par-io
and link hdf5 libraries.
Best,
Daniele
it should be possible by compiling the code using parallel I/O. You need to add this line in the configure:
--enable-hdf5-par-io
and link hdf5 libraries.
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/