ELPA, compiled, linked, but CP2K does't recognize

Hans Pabst hf.p... at gmail.com
Fri Aug 11 12:52:59 UTC 2017

There is also CP2K/intel branch (which follow CP2K/master/trunk) with some 
special support for ELPA:

   - Supports ELPA-2017
   - Enables ELPA

The latter point might be surprising: regular CP2K does not use ELPA even 
when compiled/linked with (whatever) ELPA version. Of course, one can 
enable ELPA by keyword (input file). Here is the documentation: 
http://libxsmm.readthedocs.io/en/latest/cp2k/; see also 
http://libxsmm.readthedocs.io/en/latest/cp2k/#tuning for how ELPA is used 
by default.


Am Freitag, 16. Juni 2017 02:43:28 UTC+2 schrieb Luiz Fernando Lopes 
> Hi.
> I sucessufuly compiled elpa-2016.05 and added these flats to my .arch file:
> ELPA_INC=/path/elpa-2016.05.004/build/include
> ELPA_LIB=/path/elpa-2016.05.004/build/lib
> LIBS += -L$(ELPA_LIB) -lelpa
> which produced no error during the CP2K compilation. 
> I had to use LD_LIBRARY_PATH and point to libelpa.so.4.
> So far so good, my problem comes when I used the keyword 
>  PREFERRED_DIAG_LIBRARY ELPA in my input, the output says WARNING : 
> DIAGONALIZATION library ELPA is not available  Trying SCALAPACK
> Am I using the correct the correct flags in .arch file? 
> I know that that's not what the HOWTO page says, but using those flags I 
> couldn't even compile the code.
> I found the ones I mentioned above here in the forum.
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