Elpa2017
Posted: Mon Aug 14, 2017 12:29 pm
Has anybody ne ported elpa2017 in abinit? The interface has changed signifucantly, but elpa niw support intel knights landing (KNL) and works well with qe.
Dr. Andreas Marek, ELPA developer, was kind enough to update the abinit routine m_elpa.F90 (attached) to work with the current ELPA distribution (elpa-2017.05.001
) as a backwardly compatible interface. You need to fool with the build process, but then it seems to run fine and with great performance improvement for my case (my job however dies afterwards due to a different problem in ABINIT posted as a BUG). The attached ELPA patch is also needed.
Ron