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

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  source /opt/intel/oneapi/setvars.sh
  source /opt/intel/oneapi/setvars.sh


now you are ready to install Yambo! Just set the MKL library path and include directories
now you are ready to install Yambo! If you did not download the code yet, just follow the instructions on this page: [http://www.yambo-code.org/wiki/index.php?title=Download Download Yambo]
Now you can set the MKL library path and include directories, by doing:


  export MKL_LIBS="-Wl,--start-group ${MKLROOT}/lib/intel64/libmkl_intel_lp64.a ${MKLROOT}/lib/intel64/libmkl_intel_thread.a ${MKLROOT}/lib/intel64/libmkl_core.a -Wl,--end-group -liomp5 -lpthread -lm -ldl"
  export MKL_LIBS="-Wl,--start-group ${MKLROOT}/lib/intel64/libmkl_intel_lp64.a ${MKLROOT}/lib/intel64/libmkl_intel_thread.a ${MKLROOT}/lib/intel64/libmkl_core.a -Wl,--end-group -liomp5 -lpthread -lm -ldl"
Line 24: Line 25:
  --with-scalapack-libs="$MKL_SCALAPACK" --with-blacs-libs="$MKL_SCALAPACK" \
  --with-scalapack-libs="$MKL_SCALAPACK" --with-blacs-libs="$MKL_SCALAPACK" \
  --enable-slepc-linalg
  --enable-slepc-linalg
finally compile the code with:
make core

Revision as of 09:39, 12 April 2021

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! If you did not download the code yet, just follow the instructions on this page: Download Yambo Now you can set the MKL library path and include directories, by doing:

export MKL_LIBS="-Wl,--start-group ${MKLROOT}/lib/intel64/libmkl_intel_lp64.a ${MKLROOT}/lib/intel64/libmkl_intel_thread.a ${MKLROOT}/lib/intel64/libmkl_core.a -Wl,--end-group -liomp5 -lpthread -lm -ldl"
export MKL_INCLUDE="-I${MKLROOT}/include"
export MKL_SCALAPACK=" ${MKLROOT}/lib/intel64/libmkl_scalapack_lp64.a -Wl,--start-group ${MKLROOT}/lib/intel64/libmkl_intel_lp64.a ${MKLROOT}/lib/intel64/libmkl_intel_thread.a 
${MKLROOT}/lib/intel64/libmkl_core.a ${MKLROOT}/lib/intel64/libmkl_blacs_intelmpi_lp64.a -Wl,--end-group -liomp5 -lpthread -lm -ldl"

and then configure Yambo:

./configure FC=mpiifort F77=mpiifort  --enable-open-mp --enable-par-linalg --enable-hdf5-par-io \
--with-blas-libs="$MKL_LIBS" --with-lapack-libs="$MKL_LAPACK" \
--with-fft-libs="$MKL_LIBS" --with-fft-includedir="$MKL_INCLUDE" \
--with-scalapack-libs="$MKL_SCALAPACK" --with-blacs-libs="$MKL_SCALAPACK" \
--enable-slepc-linalg

finally compile the code with:

make core