Page 1 of 1

restart BSE

Posted: Wed Feb 05, 2020 1:08 pm
by michele guerrini
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

Re: restart BSE

Posted: Wed Feb 05, 2020 4:28 pm
by Daniele Varsano
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