ELPA, compiled, linked, but CP2K does't recognize
Luiz Fernando Lopes Oliveira
olive... at gmail.com
Fri Jun 16 00:43:28 UTC 2017
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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