Install Yambo on Ubuntu/LinuxMint with Intel compiler
The Intel compiler are freely available on Linux machines.
From the Intel oneAPI page, download and install:
Now that you have installed all packages necessary to compile yambo, you can setup the Intel environment. If you use the bash/sh shell just do:
source /opt/intel/oneapi/setvars.sh
now all intel compilers and libraries will be in your path, you are ready to install Yambo. The Yambo configure automatically recognize BLAS, LAPACK and FFT from MKL, you have just to specify to use MKL also for BLACS and SCALAPACK.
./configure CC=icx MPICC=mpiicx MPIFC=mpiifort MPIF77=mpiifort FC=ifort F77=ifort --enable-open-mp --enable-par-linalg --with-scalapack-libs=mkl --with-blacs-libs=mkl --enable-slepc-linalg
finally compile the code with:
make core
Nota bene: every time you compile or use yambo, you have to load the Intel variables with the command: source /opt/intel/oneapi/setvars.sh
If you find problem compiling yambo with PetSC and Slepc you can compile them separately with the command:
./configure --prefix=/home/attacc/local_usr/ CC=icx CXX=icx FC=mpiifort --with-blas-lapack-dir=${MKLROOT} --with-scalapack-dir=${MKLROOT}
make
make install
and then for the Slepc