ELPA compilation for CP2K
Masrul
parve... at gmail.com
Wed Sep 27 18:38:08 UTC 2017
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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