ELPA compilation for CP2K

[Alfio Lazzaro]

Dear Masrul,
I'm not an ELPA expert with CP2K, however I did a fast check with your 
configure options and the flags in the CP2K toolchain, and it seems you are 
doing right. It is not a definitive confirmation, but at least I cannot see 
anything wrong....

Alfio

Il giorno mercoledì 27 settembre 2017 20:38:08 UTC+2, Masrul ha scritto:
>
> Dear all: 
>
> I am trying to compile cp2k with ELPA support. I am not sure, if i should 
>  enable OpenMP and MPI supports for ELPA compilation. 
> Here is my  compilation notes:
>
> ./configure \
>     CC=mpiicc CFLAGS="-O2 -xHost" \
>     CXX=mpiicpc CXXFLAGS="-O2 -xHost" \
>     FC=mpiifort FCFLAGS="-xHost -fPIC -DPIC" \
>     
> LDFLAGS="-L/usr/local/intel-2017/compilers_and_libraries_2017.0.098/linux/mkl/lib/intel64" 
> \
>     LIBS="-lmkl_scalapack_lp64 -lmkl_intel_lp64 -lmkl_core 
> -lmkl_intel_thread -lmkl_blacs_lp64 -liomp5 -lpthread -lm" \
>     --enable-openmp \
>     --prefix=/home/mmh568/software/CP2K/elpa2 
>
> It compiled correctly, and linked dynamically with CP2K correctly. 
> Could any of you let me know,  if my set up is correct for better 
> performance?
>
> Regards,
> Masrul 
>
>  
>
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