MacOSX

The following instructions have been tested on MacOSX 10.14.6.

Requirements:

• Gcc/Gfortran 9

• MPICH

• Blas/Lapack/Scalapack

• 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-10'
export CC='gcc-10'
export CFLAGS='-m64 -Wall -Wextra'
export F77='mpif77'
export FFLAGS='-m64 -fopenmp'
export FC='mpif90'
export MPIF90='mpif90'
export F90='mpif90'
export FCFLAGS='-m64 -fopenmp -Wall -fbacktrace -fbounds-check'
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 --with-scalapack --enable-openmp

make -j 4 pw

cd West
make conf PYT=python3 PYT_LDFLAGS="`python3-config --ldflags --embed`"
make 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