Elpa2017

Moderators: jbeuken, jzwanzig, gonze, mcote

Post Reply
recohen
Posts: 36
Joined: Tue Apr 30, 2013 10:48 pm

Elpa2017

Post by recohen » 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.

recohen
Posts: 36
Joined: Tue Apr 30, 2013 10:48 pm

Re: Elpa2017

Post by recohen » Fri Aug 18, 2017 4:52 pm

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
Attachments
m_elpa.F90
revised elpa routine for elpa-2017.05.001
(22.75 KiB) Downloaded 236 times
patch_elpa.in
patch -p1 < patch_elpa.in
(8.22 KiB) Downloaded 217 times

Post Reply