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Compilation of Quantum espresso v7.3.1 - PW and PH

• oneapi/mpi/2021.8.0 was used.

Compilation of QE-PW

% source /opt/intel/oneapi/setvars.sh raries_2019.5.281/linux/mkl/lib/intel64"

Modify make.inc as follows:

MKL_ROOT   = /opt/intel/oneapi/mkl/2023.0.0
SCALAPACK_LIBS = -lmkl_intel_lp64 -lmkl_sequential -lmkl_core -lmkl_scalapack_lp64 -lmkl_blacs_intelmpi_lp64 -lmpi
IFLAGS         = -I. -I$(TOPDIR)/include -I/opt/intel/oneapi/mkl/2023.0.0/include -I$(MKL_ROOT)/include/fftw
DFLAGS         =  -D__MPI -D__SCALAPACK -D__FFTW

Then

% make -j8 pw

For my purpose, I don't run make install. A symbolic link of pw.x is found in ./bin/ dir.

Run test:

% cd PW/examples/example01
% ./run_example

Usage:

% mpirun pw.x -i some_input.in > some_output.out

Compilation of QE-PHonon

After the compilation of QE-PW,

% make -j8 ph

Run test:

% cd PHonon/examples/example01
% ./run_example

Usage:

% mpirun ph.x -in some_input.in > some_output.out