[CP2K:9101] ELPA, compiled, linked, but CP2K does't recognize

[Ole Schütt]

Hi Luiz,

the flags for ELPA have recently been changed:

https://www.cp2k.org/howto:compile#l_elpa_optional_improved_performance_for_diagonalization

You will need to use -D__ELPA=201605 .

-Ole

On 2017-06-16 02:43, Luiz Fernando Lopes Oliveira wrote:
> 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
> DFLAGS += -D__ELPA3
> FCFLAGS += -I$(ELPA_INC)
> LDFLAGS +=-L$(ELPAROOT)
> LIBS += -L$(ELPA_LIB) -lelpa
> CPPFLAGS += -I$(ELPA_INC)
> 
> 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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