Build on Irene

Here we provide the instructions for building MILADY on the most powerful french and PRACE supercomputer Irene / JoliotCurie.

Note

We describe here the way that we use, and we know that it works. If you know a better precodure, we are happy to learn about your experience. You can email us to update the present documentation.

Step 1: Loading modules and setting bash environement

In the following, MILADY refers to the GitHub repository. We preserve here the same structure of the directories as in previous examples.

Create a directory MLD and copy MILADY in that location. Hereafter, ${MLD} is the location of MLD directory.
Set your bash environment. My ${HOME}/.bashrc file contains the following modules and variables:
```
module load mpi/openmpi/4.1.1 scalapack/mkl/21.3.0
module load fortran/inteloneapi/21.4.0
module load gnu/11.2.0
module load cmake/3.20.3
export OMPI_FC=ifort
export OMPI_CXX=g++
export OMPI_CC=gcc
```
Note

mld_build and mld_install will be created by the installation procedure, whilst mld_testdir is a directory with tests that is not compulsory.

Define in your environment the following bash function (can be added at the end of your ${HOME}/.bashrc file)

function f_setenv_milady {
  unset MLD_ROODIR

  unset MLD_ROODIR
  unset MLD_SCRDIR
  unset MLD_SRCDIR
  unset MLD_BUIDIR
  unset MLD_INSDIR
  unset MLD_TESDIR
  unset MLD_SETENV
  unset OMP_INSDIR
  unset OMP_ROOT

  export MLD_ROODIR="${MLD}/"
  # I use: export MLD_ROODIR="${CCCWORKDIR}/MLD/"
  [ -z "${MLD_ROODIR}" ] && in_red 'problem undefined MLD_ROODIR, define it'
  export MLD_SRCDIR=${MLD_ROODIR}/MILADY
  export MLD_BUIDIR=${MLD_ROODIR}/mld_build
  export MLD_INSDIR=${MLD_ROODIR}/mld_install
  export MLD_TESDIR=${MLD_ROODIR}/mld_testdir
  export MKL_ROOT=/ccc/products/mkl-21.3.0/system/default/21.3.0/
  export OMP_ROODIR=/ccc/products/ifx-21.4.0/system/default/
  export OMP_INSDIR=/ccc/products/openmpi-4.1.1/intel--20.0.0/default
  export OMP_ROOT=/ccc/products/openmpi-4.1.1/intel--20.0.0/default
  export MLD_SETENV=ON
  export LD_LIBRARY_PATH=/ccc/products/mkl-21.3.0/system/default/21.3.0/lib/intel64/:$LD_LIBRARY_PATH
  export PATH=${MLD_SRCDIR}/scripts:${PATH}
}

Step 2: Installation

Charge the MILADY bash environment (do not forget to source your $HOME/.bashrc file before it):
```
f_setenv_milady
source ${MLD}/MILADY/scripts/compile_milady.bash
```
Note

Do not forget that ${MLD} is defined by you. It is the path to the MLD directory.
Install MILADY:
```
f_compile_milady_mix
make -j4
```

And that is it ! The executable is in bin/milady_main.exe.