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

Luiz Fernando Lopes Oliveira olive... at gmail.com
Fri Jun 16 14:11:21 UTC 2017


Hi Ole. Thanks for your reply. 
Well, as I mentioned in my first message using the flags as said in the 
HOWTOs pages I couldn't even compile the code. 
The error I got using  -D__ELPA=201605 is the following:  *cp2k/src/fm/cp_fm_elpa.F:23: 
error: elpa_kernel_constants.h: No such file or directory*

On Friday, June 16, 2017 at 4:45:33 AM UTC-7, Ole Schütt wrote:
>
> 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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