macOS

The following instructions have been tested on macOS 12.3 (with Intel chip).

Requirements:

• C and Fortran compilers (e.g. gcc/gfortran in GCC 11)

• MPI (e.g. OpenMPI)

• BLAS/LAPACK

• ScaLAPACK (optional)

• FFTW3

• Python3

Building WEST

WEST executables can be compiled using the following script:

$ cat build_west.sh
#!/bin/bash

export MY_LIB_PATH=/Users/myname/LIBRARIES

export CPP='cpp-11'
export CC='gcc-11'
export MPIF90='mpif90'
export F90='mpif90'
export BLAS_LIBS=${MY_LIB_PATH}/BLAS/libblas.a
export LAPACK_LIBS=${MY_LIB_PATH}/LAPACK/liblapack.a
export SCALAPACK_LIBS=${MY_LIB_PATH}/SCALAPACK/libscalapack.a
export FFT_LIBS="${MY_LIB_PATH}/FFTW3/lib/libfftw3.a ${MY_LIB_PATH}/FFTW3/lib/libfftw3_omp.a"

./configure --enable-openmp --with-scalapack

make -j 4 pw

cd West

make conf PYT=python3 PYT_LDFLAGS="`python3-config --ldflags --embed`"
make -j 4 all

To use the script do:

$ bash build_west.sh

Running WEST

We can run the wstat.x WEST executables on 2 cores using the following command:

$ export OMP_NUM_THREADS=1
$ mpirun -np 2 ./wstat.x -i wstat.in > wstat.out