Install Yambo on Ubuntu/LinuxMint with Intel compiler: Difference between revisions
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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: | ||
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 | 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. | 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: | finally compile the code with: | ||
Revision as of 21:39, 1 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 yambo or use it you have to load the Intel variables with the command: source /opt/intel/oneapi/setvars.sh