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

[Ole Schütt]

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.
>>> 
>>> --
>>> You received this message because you are subscribed to the Google
>> 
>>> Groups "cp2k" group.
>>> To unsubscribe from this group and stop receiving emails from it,
>> send
>>> an email to cp2k+... at googlegroups.com.
>>> To post to this group, send email to cp... at googlegroups.com.
>>> Visit this group at https://groups.google.com/group/cp2k [2].
>>> For more options, visit https://groups.google.com/d/optout [3].
> 
>  --
> You received this message because you are subscribed to the Google
> Groups "cp2k" group.
> To unsubscribe from this group and stop receiving emails from it, send
> an email to cp2k+uns... at googlegroups.com.
> To post to this group, send email to cp... at googlegroups.com.
> Visit this group at https://groups.google.com/group/cp2k.
> For more options, visit https://groups.google.com/d/optout.
> 
> 
> Links:
> ------
> [1]
> https://www.cp2k.org/howto:compile#l_elpa_optional_improved_performance_for_diagonalization
> [2] https://groups.google.com/group/cp2k
> [3] https://groups.google.com/d/optout