Install Yambo on Ubuntu/LinuxMint with Intel compiler: Difference between revisions

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  make core
  make core


<span style="color:red">Nota bene</span>: every time you compile yambo or use it you have to load the Intel variables with the command: '''source /opt/intel/oneapi/setvars.sh'''
<span style="color:red">Nota bene</span>: every time you compile or use yambo, you have to load the Intel variables with the command: '''source /opt/intel/oneapi/setvars.sh'''

Revision as of 10:00, 9 February 2022

The Intel compiler are freely available on Linux machines.
From the Intel oneAPI page, download and install:

then in the bash/sh shell you can setup the Intel environment variables by doing: 

source /opt/intel/oneapi/setvars.sh

now 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 FC=mpiifort F77=mpiifort  --enable-open-mp --enable-par-linalg --enable-hdf5-par-io \
--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

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