[CP2K:9105] ELPA, compiled, linked, but CP2K does't recognize

[Luiz Fernando Lopes Oliveira]

Thank Ole.
Yes, I tried exactly what's is written on the howto pages, it didn't work. 
The only way I managed it to compile is using -D__ELPA3

On Friday, June 16, 2017 at 7:21:56 AM UTC-7, Ole Schütt wrote:
>
> Sorry, I forgot to mention that you also need to add the following two 
> include directories to FCFLAGS: 
>
>    -I$(ELPA_INCLUDE_DIR)/modules 
>    -I$(ELPA_INCLUDE_DIR)/elpa 
>
> The compiler has to be able to find "elpa_kernel_constants.h" and 
> "elpa2.mod" . 
>
> -Ole 
>
>
> On 2017-06-16 16:11, Luiz Fernando Lopes Oliveira wrote: 
> > 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 
> >> [1] 
> >> 
> >> 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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> > Links: 
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> > [1] 
> > 
> https://www.cp2k.org/howto:compile#l_elpa_optional_improved_performance_for_diagonalization 
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