[CP2K:9107] ELPA, compiled, linked, but CP2K does't recognize

[Ole Schütt]

Dear Luiz,

the __ELPA3 flag has been removed and has therefore no effect. The error 
message you posted earlier clearly states that the compiler can't find 
the file "elpa_kernel_constants.h". This file is essential for using 
Elpa. So, you should really investigate why the compiler can't find it.

-Ole

On 2017-06-16 16:37, Luiz Fernando Lopes Oliveira wrote:
> 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]
>>>> [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:
>>> ------
>>> [1]
>>> 
>> 
> https://www.cp2k.org/howto:compile#l_elpa_optional_improved_performance_for_diagonalization
>> [1]
>>> [2] https://groups.google.com/group/cp2k [2]
>>> [3] https://groups.google.com/d/optout [3]
> 
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> 
> Links:
> ------
> [1]
> https://www.cp2k.org/howto:compile#l_elpa_optional_improved_performance_for_diagonalization
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> [3] https://groups.google.com/d/optout