Install Yambo on Ubuntu/LinuxMint with Intel compiler: Difference between revisions
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* [https://software.intel.com/content/www/us/en/develop/articles/oneapi-standalone-components.html#inpage-nav-10-undefined Intel MPI libraries] | * [https://software.intel.com/content/www/us/en/develop/articles/oneapi-standalone-components.html#inpage-nav-10-undefined Intel MPI libraries] | ||
* [https://software.intel.com/content/www/us/en/develop/articles/oneapi-standalone-components.html#inpage-nav-11-5 Intel MKL libraries]. | * [https://software.intel.com/content/www/us/en/develop/articles/oneapi-standalone-components.html#inpage-nav-11-5 Intel MKL libraries]. | ||
notice that Intel compilers require g++ on your system to work properly if you did not installed it yet, just do it with the command: | |||
apt-get install g++ | |||
then in the bash/sh shell you can setup the Intel environment variables by doing: | then in the bash/sh shell you can setup the Intel environment variables by doing: | ||
Revision as of 16:25, 14 March 2022
The Intel compiler are freely available on Linux machines.
From the Intel oneAPI page, download and install:
notice that Intel compilers require g++ on your system to work properly if you did not installed it yet, just do it with the command:
apt-get install g++
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