[Q-e-developers] ELPA and QE

[Filippo SPIGA]

Dear all,

ELPA (Eigenvalue SoLvers for Petaflop-Applications) is a parallel eigen-solver library working with QE and provided natively via a self-hosted package under "archive/". This package contains a old version of ELPA. The latest official ELPA release available on the web adopts different routine API (small changes but enought to require a change in the code).

After some changes in the code, we now support two versions: ELPA 2015.11.001 (__ELPA_2015) and ELPA 2016.05.003 (__ELPA_2016). Again, these two versions have different routine API and these discrepancies force us to maintain two API in the code. It is ugly but it is nothing we can do about.

The old ELPA in the code will be deprecated by v6.0 is going to be released. I am working on a configure step that transparently detects ELPA 2015 versus ELPA 2016. If I fails, I will work around a mechanism that allows to pass to the configure both the location of the shared library and the location of the Fortran modules associated with it.

Stay tuned

Cheers

--
Filippo SPIGA ~ Quantum ESPRESSO Foundation ~ http://www.quantum-espresso.org